(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide

C13H16N4O — CID 110837650

IUPAC(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
SMILESCc1[nH]ncc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C13H16N4O/c1-9-12(8-15-17-9)16-13(18)11(14)7-10-5-3-2-4-6-10/h2-6,8,11H,7,14H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyWDPHVUSIVHJHOI-NSHDSACASA-N
MW244.30 g/mol
LogP1.23
Rot. Bonds4

About (2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide

(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide (PubChem CID 110837650) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
PubChem CID110837650
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
SMILESCc1[nH]ncc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C13H16N4O/c1-9-12(8-15-17-9)16-13(18)11(14)7-10-5-3-2-4-6-10/h2-6,8,11H,7,14H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyWDPHVUSIVHJHOI-NSHDSACASA-N
XLogP1.23
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 104619330
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 130719724
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 78984805

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide (CID 110837650) is (2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide is Cc1[nH]ncc1NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide?
The InChIKey is WDPHVUSIVHJHOI-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-12(8-15-17-9)16-13(18)11(14)7-10-5-3-2-4-6-10/h2-6,8,11H,7,14H2,1H3,(H,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide has a molecular weight of 244.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 110837650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).