(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide

C13H14ClN3O — CID 92707965

IUPAC(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
SMILESC[C@@H](CC(=O)Nc1ccc(Cl)cc1)n1cccn1
InChIInChI=1S/C13H14ClN3O/c1-10(17-8-2-7-15-17)9-13(18)16-12-5-3-11(14)4-6-12/h2-8,10H,9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyXJRRCDLQEPMAGK-JTQLQIEISA-N
MW263.73 g/mol
LogP3.13
Rot. Bonds4

About (3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide

(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide (PubChem CID 92707965) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
PubChem CID92707965
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
SMILESC[C@@H](CC(=O)Nc1ccc(Cl)cc1)n1cccn1
InChIInChI=1S/C13H14ClN3O/c1-10(17-8-2-7-15-17)9-13(18)16-12-5-3-11(14)4-6-12/h2-8,10H,9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyXJRRCDLQEPMAGK-JTQLQIEISA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225407
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1490704
N-(3-chlorophenyl)-1-ethyl-5-methyl-4-pyrazolecarboxamide
CID 832064
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892997
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 832071
N-(4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 2837091
N-(4-Acetamidophenyl)-3-(3-methyl-1H-pyrazol-1-YL)butanamide
CID 16026655
N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1236002
N4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 2807776
N-(2-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 842014

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide (CID 92707965) is (3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide is C[C@@H](CC(=O)Nc1ccc(Cl)cc1)n1cccn1.
What is the InChIKey of (3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide?
The InChIKey is XJRRCDLQEPMAGK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-10(17-8-2-7-15-17)9-13(18)16-12-5-3-11(14)4-6-12/h2-8,10H,9H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide?
(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide has a molecular weight of 263.73 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 92707965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).