(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide

C15H20N4O — CID 61180755

IUPAC(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-3-11(2)14(16)15(20)18-12-5-7-13(8-6-12)19-10-4-9-17-19/h4-11,14H,3,16H2,1-2H3,(H,18,20)/t11-,14-/m0/s1
InChIKeyQCDSVWOMPMIUCU-FZMZJTMJSA-N
MW272.35 g/mol
LogP2.18
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide (PubChem CID 61180755) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
PubChem CID61180755
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-3-11(2)14(16)15(20)18-12-5-7-13(8-6-12)19-10-4-9-17-19/h4-11,14H,3,16H2,1-2H3,(H,18,20)/t11-,14-/m0/s1
InChIKeyQCDSVWOMPMIUCU-FZMZJTMJSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119768018
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide
CID 119771640
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
CID 61177988
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 61180684
3-amino-4-oxo-4-(4-pyrazol-1-ylanilino)butanoic acid
CID 64895291
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide (CID 61180755) is (2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide?
The InChIKey is QCDSVWOMPMIUCU-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-11(2)14(16)15(20)18-12-5-7-13(8-6-12)19-10-4-9-17-19/h4-11,14H,3,16H2,1-2H3,(H,18,20)/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide has a molecular weight of 272.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide is sourced from PubChem (CID 61180755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).