3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide

C16H21N3O — CID 60999920

IUPAC3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
SMILESCCC(C)C(C(=O)NCc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-3-12(2)15(14-7-5-4-6-8-14)16(20)17-9-13-10-18-19-11-13/h4-8,10-12,15H,3,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHPIKKMRXHZRXQQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds6

About 3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide

3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide (PubChem CID 60999920) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
PubChem CID60999920
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
SMILESCCC(C)C(C(=O)NCc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-3-12(2)15(14-7-5-4-6-8-14)16(20)17-9-13-10-18-19-11-13/h4-8,10-12,15H,3,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHPIKKMRXHZRXQQ-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735814
3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 62877321
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide
CID 122133474
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897
N-(4-ethyl-1H-pyrazol-5-yl)-3-methyl-2-phenylpentanamide
CID 104620220
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 103514032
N-(3-chloro-2-methylpropyl)-3-methyl-2-phenylpentanamide
CID 114302680
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide?
The IUPAC name of 3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide (CID 60999920) is 3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide.
What is the SMILES notation for 3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide?
The canonical SMILES for 3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide is CCC(C)C(C(=O)NCc1cn[nH]c1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide?
The InChIKey is HPIKKMRXHZRXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-12(2)15(14-7-5-4-6-8-14)16(20)17-9-13-10-18-19-11-13/h4-8,10-12,15H,3,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide?
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide has a molecular weight of 271.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide is sourced from PubChem (CID 60999920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).