1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide

C12H11N5O4 — CID 9036481

IUPAC1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H11N5O4/c1-16-7-9(6-13-16)12(19)15-14-11(18)8-2-4-10(5-3-8)17(20)21/h2-7H,1H3,(H,14,18)(H,15,19)
InChIKeyUQZXKLBGDSCFOB-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.40
Rot. Bonds3

About 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide

1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide (PubChem CID 9036481) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide
PubChem CID9036481
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H11N5O4/c1-16-7-9(6-13-16)12(19)15-14-11(18)8-2-4-10(5-3-8)17(20)21/h2-7H,1H3,(H,14,18)(H,15,19)
InChIKeyUQZXKLBGDSCFOB-UHFFFAOYSA-N
XLogP0.40
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide 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

N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide
CID 78883917
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172
4-nitro-N-trimethylsilylbenzamide
CID 12726300
N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 135778383
2-(N-methyl-4-nitroanilino)ethyl 1-methylpyrazole-4-carboxylate
CID 47079543
1-methylpyrazole-4-carboxylate
CID 6979031
4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide
CID 17386597
1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid
CID 19406253
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide
CID 4275309

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide (CID 9036481) is 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide is Cn1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide?
The InChIKey is UQZXKLBGDSCFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c1-16-7-9(6-13-16)12(19)15-14-11(18)8-2-4-10(5-3-8)17(20)21/h2-7H,1H3,(H,14,18)(H,15,19).
What are the key properties of 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide?
1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide has a molecular weight of 289.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 9036481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).