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

C15H20N4O — CID 61179187

IUPAC(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)9-13(16)15(20)18-12-5-3-11(4-6-12)14-7-8-17-19-14/h3-8,10,13H,9,16H2,1-2H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyAWRQGVWJVYAASU-ZDUSSCGKSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds5

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

(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide (PubChem CID 61179187) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
PubChem CID61179187
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)9-13(16)15(20)18-12-5-3-11(4-6-12)14-7-8-17-19-14/h3-8,10,13H,9,16H2,1-2H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyAWRQGVWJVYAASU-ZDUSSCGKSA-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;hydrochloride
CID 119399823
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 43711252
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 62668887
(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide
CID 104902852
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2R)-2-amino-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 83618000

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide (CID 61179187) is (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide?
The InChIKey is AWRQGVWJVYAASU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)9-13(16)15(20)18-12-5-3-11(4-6-12)14-7-8-17-19-14/h3-8,10,13H,9,16H2,1-2H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide?
(2S)-2-amino-4-methyl-N-[4-(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 (2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide is sourced from PubChem (CID 61179187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).