N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide

C14H12N6O3 — CID 135770931

IUPACN-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C14H12N6O3/c21-14(11-8-13(17-16-11)20(22)23)15-12-6-7-19(18-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,15,18,21)
InChIKeyRCPVCRLWDUGVPA-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.82
Rot. Bonds5

About N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide

N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide (PubChem CID 135770931) has the molecular formula C14H12N6O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide
PubChem CID135770931
Molecular FormulaC14H12N6O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC NameN-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C14H12N6O3/c21-14(11-8-13(17-16-11)20(22)23)15-12-6-7-19(18-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,15,18,21)
InChIKeyRCPVCRLWDUGVPA-UHFFFAOYSA-N
XLogP1.82
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.82
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 N-(1-benzylpyrazol-3-yl)-5-nitro-1H-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

N-(1-benzylpyrazol-4-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135706854
N-(1-benzylpyrazol-3-yl)-1-ethyl-4-nitropyrazole-3-carboxamide
CID 843698
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19284590
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 19406942
4-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135829892
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
N-(1-benzylpyrazol-3-yl)-4-chloro-5-nitropyrazolidine-3-carboxamide
CID 78207769
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 17285370
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
CID 19403098

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide (CID 135770931) is N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide is O=C(Nc1ccn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])[nH]n1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is RCPVCRLWDUGVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3/c21-14(11-8-13(17-16-11)20(22)23)15-12-6-7-19(18-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,15,18,21).
What are the key properties of N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide?
N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135770931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).