4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide

C20H20ClN3O — CID 100830593

IUPAC4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C20H20ClN3O/c1-15-4-10-19(11-5-15)23-20(25)3-2-12-24-14-17(13-22-24)16-6-8-18(21)9-7-16/h4-11,13-14H,2-3,12H2,1H3,(H,23,25)
InChIKeyJOTVJGFTBZNBEO-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.93
Rot. Bonds6

About 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide

4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide (PubChem CID 100830593) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide
PubChem CID100830593
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C20H20ClN3O/c1-15-4-10-19(11-5-15)23-20(25)3-2-12-24-14-17(13-22-24)16-6-8-18(21)9-7-16/h4-11,13-14H,2-3,12H2,1H3,(H,23,25)
InChIKeyJOTVJGFTBZNBEO-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide
CID 100829513
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
4-[4-[[2-(4-chlorophenyl)acetyl]amino]pyrazol-1-yl]butanoate
CID 7298444
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
5-(4-phenylpyrazol-1-yl)pentan-2-one
CID 55113154
N-(4-methylphenyl)pentanamide
CID 3662375
N-(4-chlorophenyl)tridecanamide
CID 4195215
1-[3-(4-acetamidoanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482893
4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
CID 139033660

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide?
The IUPAC name of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide (CID 100830593) is 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide is Cc1ccc(NC(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide?
The InChIKey is JOTVJGFTBZNBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-15-4-10-19(11-5-15)23-20(25)3-2-12-24-14-17(13-22-24)16-6-8-18(21)9-7-16/h4-11,13-14H,2-3,12H2,1H3,(H,23,25).
What are the key properties of 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide?
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide has a molecular weight of 353.85 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 100830593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).