4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide

C19H18ClN3O — CID 55775808

IUPAC4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN3O/c20-16-11-9-15(10-12-16)5-4-8-19(24)21-18-13-14-23(22-18)17-6-2-1-3-7-17/h1-3,6-7,9-14H,4-5,8H2,(H,21,22,24)
InChIKeyIFQAOPSNYNQZON-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.49
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide

4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide (PubChem CID 55775808) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide
PubChem CID55775808
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN3O/c20-16-11-9-15(10-12-16)5-4-8-19(24)21-18-13-14-23(22-18)17-6-2-1-3-7-17/h1-3,6-7,9-14H,4-5,8H2,(H,21,22,24)
InChIKeyIFQAOPSNYNQZON-UHFFFAOYSA-N
XLogP4.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55536355
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
3-(3-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55547813
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
2-(2,6-difluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135316122
2-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanone
CID 105078013
2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
CID 47021837
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
6-(4-chlorophenyl)hex-1-en-3-one
CID 145267913

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide (CID 55775808) is 4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide is O=C(CCCc1ccc(Cl)cc1)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide?
The InChIKey is IFQAOPSNYNQZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-16-11-9-15(10-12-16)5-4-8-19(24)21-18-13-14-23(22-18)17-6-2-1-3-7-17/h1-3,6-7,9-14H,4-5,8H2,(H,21,22,24).
What are the key properties of 4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide?
4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide has a molecular weight of 339.83 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide is sourced from PubChem (CID 55775808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).