3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide

C18H16ClN3O — CID 19509413

IUPAC3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1
InChIInChI=1S/C18H16ClN3O/c1-11-3-4-12(2)15(9-11)20-18(23)17-10-16(21-22-17)13-5-7-14(19)8-6-13/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyJGRYRGDEVYERGJ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.60
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509413) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509413
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1
InChIInChI=1S/C18H16ClN3O/c1-11-3-4-12(2)15(9-11)20-18(23)17-10-16(21-22-17)13-5-7-14(19)8-6-13/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyJGRYRGDEVYERGJ-UHFFFAOYSA-N
XLogP4.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
3-[4-(diaminomethylideneamino)phenyl]-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 122182863
3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 19509385
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
N-[(4-chlorophenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 870115
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 34577805

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide (CID 19509413) is 3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JGRYRGDEVYERGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-11-3-4-12(2)15(9-11)20-18(23)17-10-16(21-22-17)13-5-7-14(19)8-6-13/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).