3-N,5-N-bis(4-ethoxyphenyl)-1-methyl-4-nitropyrazole-3,5-dicarboxamide

Formula:C22H23N5O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-N,5-N-bis(4-ethoxyphenyl)-1-methyl-4-nitropyrazole-3,5-dicarboxamide is not a drug-like molecule.

MolName	3-N,5-N-bis(4-ethoxyphenyl)-1-methyl-4-nitropyrazole-3,5-dicarboxamide
MolecularFormula	C22H23N5O6
Smiles	CCOc(cc1)ccc1NC(c(n(C)nc1C(Nc(cc2)ccc2OCC)=O)c1[N+]([O-])=O)=O
InChI	InChI=1S/C22H23N5O6/c1-4-32-16-10-6-14(7-11-16)23-21(28)18-19(27(30)31)20(26(3)25-18)22(29)24-15-8-12-17(13-9-15)33-5-2/h6-13H,4-5H2,1-3H3,(H,23,28)(H,24,29)
InChIK	GMLHUUDJHDMTKA-UHFFFAOYSA-N
TotalMolweight	453.454
Molweight	453.454
MonoisotopicMass	453.164835
CLogP	1.8759
CLogS	-4.551
H Acceptors	11
H Donors	2
TotalSurfaceArea	347.13
Relative PSA	0.3378
PolarSurfaceArea	140.3
Druglikeness	-0.25884
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-N,5-N-bis(4-ethoxyphenyl)-1-methyl-4-nitropyrazole-3,5-dicarboxamide | 2 - 3-N,5-N-bis(4-ethoxyphenyl)-1-methyl-4-nitropyrazole-3,5-dicarboxamide

Request More Details | 3-N,5-N-bis(4-ethoxyphenyl)-1-methyl-4-nitropyrazole-3,5-dicarboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments