3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide

C19H18ClN3O — CID 46920141

IUPAC3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c1
InChIInChI=1S/C19H18ClN3O/c1-12(2)13-5-4-8-16(10-13)21-19(24)18-11-17(22-23-18)14-6-3-7-15(20)9-14/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChIKeyQSIBNBFEHVSPBB-UHFFFAOYSA-N
MW339.83 g/mol
LogP5.11
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide

3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920141) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920141
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c1
InChIInChI=1S/C19H18ClN3O/c1-12(2)13-5-4-8-16(10-13)21-19(24)18-11-17(22-23-18)14-6-3-7-15(20)9-14/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChIKeyQSIBNBFEHVSPBB-UHFFFAOYSA-N
XLogP5.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.83
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-1-yl-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046351
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244989
3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046352
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 55624453
3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 167771106
3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide
CID 46404499

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide (CID 46920141) is 3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide is CC(C)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QSIBNBFEHVSPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-12(2)13-5-4-8-16(10-13)21-19(24)18-11-17(22-23-18)14-6-3-7-15(20)9-14/h3-12H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).