N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide

C19H18ClN3O — CID 91486088

IUPACN-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C19H18ClN3O/c1-14-5-7-18(8-6-14)23-13-16(12-22-23)19(24)21-10-9-15-3-2-4-17(20)11-15/h2-8,11-13H,9-10H2,1H3,(H,21,24)
InChIKeyYIKPPFPXJXXVAJ-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.81
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 91486088) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID91486088
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C19H18ClN3O/c1-14-5-7-18(8-6-14)23-13-16(12-22-23)19(24)21-10-9-15-3-2-4-17(20)11-15/h2-8,11-13H,9-10H2,1H3,(H,21,24)
InChIKeyYIKPPFPXJXXVAJ-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55874855
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide
CID 55628846
1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide
CID 55974960
1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 50772791
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109241132
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111358391
N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9372355

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 91486088) is N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCCc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is YIKPPFPXJXXVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-14-5-7-18(8-6-14)23-13-16(12-22-23)19(24)21-10-9-15-3-2-4-17(20)11-15/h2-8,11-13H,9-10H2,1H3,(H,21,24).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 91486088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).