2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide

C16H21N3O — CID 115630203

IUPAC2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2[nH]ncc2C)cc1
InChIInChI=1S/C16H21N3O/c1-3-4-5-13-6-8-14(9-7-13)10-15(20)18-16-12(2)11-17-19-16/h6-9,11H,3-5,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyQNAOTPFZVJPMOA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide

2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide (PubChem CID 115630203) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
PubChem CID115630203
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2[nH]ncc2C)cc1
InChIInChI=1S/C16H21N3O/c1-3-4-5-13-6-8-14(9-7-13)10-15(20)18-16-12(2)11-17-19-16/h6-9,11H,3-5,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyQNAOTPFZVJPMOA-UHFFFAOYSA-N
XLogP3.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113236911
N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide
CID 112691354
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289707
N-(4-methyl-1H-pyrazol-5-yl)-3-pyridin-4-ylpropanamide
CID 112691455
2-(4-butylphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859538
2-(4-butylphenyl)-N-(6-methyl-2-pyridinyl)acetamide
CID 46651760
2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113253809
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104621856
2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17434255
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104621851

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide (CID 115630203) is 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide is CCCCc1ccc(CC(=O)Nc2[nH]ncc2C)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The InChIKey is QNAOTPFZVJPMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-4-5-13-6-8-14(9-7-13)10-15(20)18-16-12(2)11-17-19-16/h6-9,11H,3-5,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 115630203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).