1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide

C18H15ClN4O3 — CID 25299297

IUPAC1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H15ClN4O3/c1-12-6-7-15(23(25)26)8-17(12)21-18(24)14-9-20-22(11-14)10-13-4-2-3-5-16(13)19/h2-9,11H,10H2,1H3,(H,21,24)
InChIKeyLCQAMTFHJYFBKF-UHFFFAOYSA-N
MW370.80 g/mol
LogP4.05
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide (PubChem CID 25299297) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide
PubChem CID25299297
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H15ClN4O3/c1-12-6-7-15(23(25)26)8-17(12)21-18(24)14-9-20-22(11-14)10-13-4-2-3-5-16(13)19/h2-9,11H,10H2,1H3,(H,21,24)
InChIKeyLCQAMTFHJYFBKF-UHFFFAOYSA-N
XLogP4.05
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-5-nitrophenyl)methyl]-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 134016077
N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588915
3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide
CID 27133783
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[(4-nitrophenoxy)methyl]benzamide
CID 19397727
1-[(2-chlorophenyl)methyl]-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 17476630
1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 24641718
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 27146910
1-[(2-chlorophenyl)methyl]-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 39723136
(E)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 19397607
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9057976

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide (CID 25299297) is 1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide?
The InChIKey is LCQAMTFHJYFBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-12-6-7-15(23(25)26)8-17(12)21-18(24)14-9-20-22(11-14)10-13-4-2-3-5-16(13)19/h2-9,11H,10H2,1H3,(H,21,24).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide has a molecular weight of 370.80 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25299297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).