(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide

C12H14N4O — CID 78971911

IUPAC(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H14N4O/c1-9(13)12(17)15-10-3-5-11(6-4-10)16-8-2-7-14-16/h2-9H,13H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyDNFSGLGDFJKJDM-SECBINFHSA-N
MW230.27 g/mol
LogP1.16
Rot. Bonds3

About (2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide

(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide (PubChem CID 78971911) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
PubChem CID78971911
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H14N4O/c1-9(13)12(17)15-10-3-5-11(6-4-10)16-8-2-7-14-16/h2-9H,13H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyDNFSGLGDFJKJDM-SECBINFHSA-N
XLogP1.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
CID 61177988
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
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
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide
CID 120562018
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 120562017

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide (CID 78971911) is (2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide is C[C@@H](N)C(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of (2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide?
The InChIKey is DNFSGLGDFJKJDM-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9(13)12(17)15-10-3-5-11(6-4-10)16-8-2-7-14-16/h2-9H,13H2,1H3,(H,15,17)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide?
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide has a molecular weight of 230.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 78971911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).