1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide

C11H10N6O3 — CID 903030

IUPAC1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)NN=Cc2ccncc2)n1
InChIInChI=1S/C11H10N6O3/c1-16-7-9(17(19)20)10(15-16)11(18)14-13-6-8-2-4-12-5-3-8/h2-7H,1H3,(H,14,18)
InChIKeyPVJJITGSQRSOTQ-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.49
Rot. Bonds4

About 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide

1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide (PubChem CID 903030) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
PubChem CID903030
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)NN=Cc2ccncc2)n1
InChIInChI=1S/C11H10N6O3/c1-16-7-9(17(19)20)10(15-16)11(18)14-13-6-8-2-4-12-5-3-8/h2-7H,1H3,(H,14,18)
InChIKeyPVJJITGSQRSOTQ-UHFFFAOYSA-N
XLogP0.49
TPSA115.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-nitro-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
CID 6873023
N-[(3-methoxyphenyl)methylideneamino]-1-methyl-4-nitropyrazole-3-carboxamide
CID 910159
1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
CID 841387
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-1-methyl-4-nitropyrazole-3-carboxamide
CID 4163851
1-methyl-4-nitro-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyrazole-3-carboxamide
CID 5434339
3,5-dinitro-N-(pyridin-4-ylmethylideneamino)benzamide
CID 2185358
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1-methyl-4-nitropyrazole-3-carboxamide
CID 6884361
4-bromo-1-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]pyrazole-3-carboxamide
CID 5499600
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 135411998
1-methyl-4-nitro-N-propan-2-ylpyrazole-3-carboxamide
CID 19263922
1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
CID 536040
1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]-4-nitropyrazole-3-carboxamide
CID 5499669

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide (CID 903030) is 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide is Cn1cc([N+](=O)[O-])c(C(=O)NN=Cc2ccncc2)n1.
What is the InChIKey of 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide?
The InChIKey is PVJJITGSQRSOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3/c1-16-7-9(17(19)20)10(15-16)11(18)14-13-6-8-2-4-12-5-3-8/h2-7H,1H3,(H,14,18).
What are the key properties of 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide?
1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide is sourced from PubChem (CID 903030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).