2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H20N4O — CID 61252081

IUPAC2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-10-14(11(2)19(3)18-10)17-15(20)13(16)9-12-7-5-4-6-8-12/h4-8,13H,9,16H2,1-3H3,(H,17,20)
InChIKeyIWUNBQWJEXXCPN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 61252081) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID61252081
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-10-14(11(2)19(3)18-10)17-15(20)13(16)9-12-7-5-4-6-8-12/h4-8,13H,9,16H2,1-3H3,(H,17,20)
InChIKeyIWUNBQWJEXXCPN-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-phenylpropanoate
CID 55404984
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-phenylacetate
CID 7697898
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848402
(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide
CID 61148146
(2S)-2-amino-N-(1-methylimidazol-2-yl)-3-phenylpropanamide
CID 15837349
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
CID 79048264
(2S)-2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 61164027

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 61252081) is 2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is IWUNBQWJEXXCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-14(11(2)19(3)18-10)17-15(20)13(16)9-12-7-5-4-6-8-12/h4-8,13H,9,16H2,1-3H3,(H,17,20).
What are the key properties of 2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 61252081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).