N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide

C17H14ClN3O — CID 855627

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C17H14ClN3O/c1-11-4-2-3-5-14(11)17(22)19-16-10-15(20-21-16)12-6-8-13(18)9-7-12/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyZDWIGSCWEZVESD-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.29
Rot. Bonds3

About N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide (PubChem CID 855627) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
PubChem CID855627
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C17H14ClN3O/c1-11-4-2-3-5-14(11)17(22)19-16-10-15(20-21-16)12-6-8-13(18)9-7-12/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyZDWIGSCWEZVESD-UHFFFAOYSA-N
XLogP4.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 5348678
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide
CID 2738780
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 167971745
2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide
CID 167757416
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
ethyl (E)-3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]but-2-enoate
CID 786793
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 53196042
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
1-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90928285
(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
CID 118731079

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide (CID 855627) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is ZDWIGSCWEZVESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-11-4-2-3-5-14(11)17(22)19-16-10-15(20-21-16)12-6-8-13(18)9-7-12/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 311.77 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 855627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).