5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide

C18H16ClN3O — CID 71824675

IUPAC5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H16ClN3O/c1-12-4-2-5-13(8-12)10-20-18(23)16-11-21-22-17(16)14-6-3-7-15(19)9-14/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyVGDJAIWDEPKSDI-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.97
Rot. Bonds4

About 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide

5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 71824675) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID71824675
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H16ClN3O/c1-12-4-2-5-13(8-12)10-20-18(23)16-11-21-22-17(16)14-6-3-7-15(19)9-14/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyVGDJAIWDEPKSDI-UHFFFAOYSA-N
XLogP3.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824226
5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824470
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide
CID 75425510
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
5-(3-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155949626
5-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 155949629
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120652144
5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 75378620
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 166233960

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 71824675) is 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is VGDJAIWDEPKSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-4-2-5-13(8-12)10-20-18(23)16-11-21-22-17(16)14-6-3-7-15(19)9-14/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).