N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

C19H18ClN3O — CID 2747053

IUPACN-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C)cc2C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-13-7-9-15(10-8-13)12-23-18(11-14(2)22-23)19(24)21-17-6-4-3-5-16(17)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyUJBJYCUKXLBLFF-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.45
Rot. Bonds4

About N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 2747053) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID2747053
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C)cc2C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-13-7-9-15(10-8-13)12-23-18(11-14(2)22-23)19(24)21-17-6-4-3-5-16(17)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyUJBJYCUKXLBLFF-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
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N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
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CID 44224129
Dipeptidyl nitrile inhibitor, 23
CID 44224133
Dipeptidyl nitrile inhibitor, 24
CID 44224134
N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propyl-1H-pyrazole-5-carboxamide
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CID 5015293

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (CID 2747053) is N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is Cc1ccc(Cn2nc(C)cc2C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is UJBJYCUKXLBLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-13-7-9-15(10-8-13)12-23-18(11-14(2)22-23)19(24)21-17-6-4-3-5-16(17)20/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 2747053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).