5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide

C18H16ClN3O — CID 20950773

IUPAC5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O/c1-2-12-3-9-15(10-4-12)21-18(23)16-11-20-22-17(16)13-5-7-14(19)8-6-13/h3-11H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyBHSJBPQPPCCMAM-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.54
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 20950773) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID20950773
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O/c1-2-12-3-9-15(10-4-12)21-18(23)16-11-20-22-17(16)13-5-7-14(19)8-6-13/h3-11H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyBHSJBPQPPCCMAM-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
5-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17433645
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55842498
5-(4-chlorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 24668121
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
5-(4-ethylphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 71824394
5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 95795191
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 56548711
5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 18136016

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide (CID 20950773) is 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide is CCc1ccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BHSJBPQPPCCMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-2-12-3-9-15(10-4-12)21-18(23)16-11-20-22-17(16)13-5-7-14(19)8-6-13/h3-11H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 20950773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).