N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide

C15H13ClN6O3 — CID 4774967

IUPACN-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C15H13ClN6O3/c1-10-2-3-11(16)6-14(10)18-15(23)13-4-5-20(19-13)9-21-8-12(7-17-21)22(24)25/h2-8H,9H2,1H3,(H,18,23)
InChIKeyQUIZNNMXLUSXQV-UHFFFAOYSA-N
MW360.76 g/mol
LogP2.71
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide

N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide (PubChem CID 4774967) has the molecular formula C15H13ClN6O3 and a molecular weight of 360.76 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
PubChem CID4774967
Molecular FormulaC15H13ClN6O3
Molecular Weight360.76 g/mol
Exact Mass360.07
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C15H13ClN6O3/c1-10-2-3-11(16)6-14(10)18-15(23)13-4-5-20(19-13)9-21-8-12(7-17-21)22(24)25/h2-8H,9H2,1H3,(H,18,23)
InChIKeyQUIZNNMXLUSXQV-UHFFFAOYSA-N
XLogP2.71
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 52.71
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-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 4775215
N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262159
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19271712
N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1225788
N-(4-chloro-2-nitrophenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270474
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19271789
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 19277942
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2-methyl-4-nitrophenyl)pyrazole-3-carboxamide
CID 19274423
1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19516097
N-(4-chloro-2-fluorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1014836

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide (CID 4774967) is N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is QUIZNNMXLUSXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O3/c1-10-2-3-11(16)6-14(10)18-15(23)13-4-5-20(19-13)9-21-8-12(7-17-21)22(24)25/h2-8H,9H2,1H3,(H,18,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 360.76 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4774967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).