2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide

C13H14ClN3O — CID 110464791

IUPAC2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(C)(C(=O)Nc1ccn[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-13(2,9-3-5-10(14)6-4-9)12(18)16-11-7-8-15-17-11/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyGCIWRKWAQDCYGQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.98
Rot. Bonds3

About 2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide

2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 110464791) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide
PubChem CID110464791
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(C)(C(=O)Nc1ccn[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-13(2,9-3-5-10(14)6-4-9)12(18)16-11-7-8-15-17-11/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyGCIWRKWAQDCYGQ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide
CID 126995468
2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
CID 80548785
2-(4-chlorophenyl)-N-(5-hydroxy-2,4-dimethylphenyl)-2-methylpropanamide
CID 167970243
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide
CID 46226178
1-(4-chlorophenyl)-3-(1H-pyrazol-5-yl)thiourea
CID 4638473
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119625738
2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 61393876
N-(4-chloro-2-methylphenyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197436
6-chloro-3-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzamide
CID 171061998
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
3-(tert-butylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 61394138
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 110466165

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide (CID 110464791) is 2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide is CC(C)(C(=O)Nc1ccn[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is GCIWRKWAQDCYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-13(2,9-3-5-10(14)6-4-9)12(18)16-11-7-8-15-17-11/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide?
2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 263.73 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 110464791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).