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

C15H20N4O — CID 61241755

IUPAC(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)14(16)15(20)17-9-11-3-5-12(6-4-11)13-7-8-18-19-13/h3-8,10,14H,9,16H2,1-2H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyFRNOLHBQVIMVEX-AWEZNQCLSA-N
MW272.35 g/mol
LogP1.68
Rot. Bonds5

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

(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide (PubChem CID 61241755) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
PubChem CID61241755
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)14(16)15(20)17-9-11-3-5-12(6-4-11)13-7-8-18-19-13/h3-8,10,14H,9,16H2,1-2H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyFRNOLHBQVIMVEX-AWEZNQCLSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463
2-bromo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 62854367
3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 55839808
3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 64677992
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
CID 79012217
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
(2S)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119297048
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide (CID 61241755) is (2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide is CC(C)[C@H](N)C(=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The InChIKey is FRNOLHBQVIMVEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)14(16)15(20)17-9-11-3-5-12(6-4-11)13-7-8-18-19-13/h3-8,10,14H,9,16H2,1-2H3,(H,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 61241755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).