2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide

C15H20N4O — CID 43711252

IUPAC2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
SMILESCC(C)CC(N)C(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C15H20N4O/c1-10(2)8-13(16)15(20)18-12-5-3-4-11(9-12)14-6-7-17-19-14/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBOHMALDSKCOHOF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds5

About 2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide

2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide (PubChem CID 43711252) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
PubChem CID43711252
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
SMILESCC(C)CC(N)C(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C15H20N4O/c1-10(2)8-13(16)15(20)18-12-5-3-4-11(9-12)14-6-7-17-19-14/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBOHMALDSKCOHOF-UHFFFAOYSA-N
XLogP2.39
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 61179187
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride
CID 119399823
(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 61180537
2-phenoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 42958308
2-phenyl-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide
CID 43073756
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
2-amino-2-(oxan-4-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide;hydrochloride
CID 120785975
(2S)-2-amino-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 61180352
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide?
The IUPAC name of 2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide (CID 43711252) is 2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide is CC(C)CC(N)C(=O)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide?
The InChIKey is BOHMALDSKCOHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)8-13(16)15(20)18-12-5-3-4-11(9-12)14-6-7-17-19-14/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide?
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide has a molecular weight of 272.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide is sourced from PubChem (CID 43711252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).