N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide

C15H14N6O3 — CID 4775215

IUPACN-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(Cn3cc([N+](=O)[O-])cn3)n2)cc1
InChIInChI=1S/C15H14N6O3/c1-11-2-4-12(5-3-11)17-15(22)14-6-7-19(18-14)10-20-9-13(8-16-20)21(23)24/h2-9H,10H2,1H3,(H,17,22)
InChIKeyKGNALGJRKGUZMB-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.05
Rot. Bonds5

About N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide

N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide (PubChem CID 4775215) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
PubChem CID4775215
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC NameN-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(Cn3cc([N+](=O)[O-])cn3)n2)cc1
InChIInChI=1S/C15H14N6O3/c1-11-2-4-12(5-3-11)17-15(22)14-6-7-19(18-14)10-20-9-13(8-16-20)21(23)24/h2-9H,10H2,1H3,(H,17,22)
InChIKeyKGNALGJRKGUZMB-UHFFFAOYSA-N
XLogP2.05
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 4775157
N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 4774967
1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19516097
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
N-(4-bromophenyl)-1-[(3-nitropyrrol-1-yl)methyl]pyrazole-3-carboxamide
CID 164627198
1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19271762
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19271712
1-[(4-bromopyrazol-1-yl)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19271730
1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide
CID 19271719
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
1-[(4-bromopyrazol-1-yl)methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19271649
1-[(4-bromopyrazol-1-yl)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19271640

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide (CID 4775215) is N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2ccn(Cn3cc([N+](=O)[O-])cn3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is KGNALGJRKGUZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-11-2-4-12(5-3-11)17-15(22)14-6-7-19(18-14)10-20-9-13(8-16-20)21(23)24/h2-9H,10H2,1H3,(H,17,22).
What are the key properties of N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide?
N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4775215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).