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

C13H14ClN3O — CID 47244989

IUPACN-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C13H14ClN3O/c1-8(2)11-7-12(17-16-11)13(18)15-10-5-3-4-9(14)6-10/h3-8H,1-2H3,(H,15,18)(H,16,17)
InChIKeyYNUZIIPTYFVJCD-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.44
Rot. Bonds3

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

N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 47244989) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID47244989
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C13H14ClN3O/c1-8(2)11-7-12(17-16-11)13(18)15-10-5-3-4-9(14)6-10/h3-8H,1-2H3,(H,15,18)(H,16,17)
InChIKeyYNUZIIPTYFVJCD-UHFFFAOYSA-N
XLogP3.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 87047322
N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858828
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-[(4-chlorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244745
propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
CID 5042562
5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide
CID 110863444
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47245043
3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 46920141
N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 51090844
3-methylsulfonyl-5-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]benzoic acid
CID 119257679

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 47244989) is N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2cccc(Cl)c2)n[nH]1.
What is the InChIKey of N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YNUZIIPTYFVJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8(2)11-7-12(17-16-11)13(18)15-10-5-3-4-9(14)6-10/h3-8H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47244989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).