2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid

C15H19N3O2 — CID 64772221

IUPAC2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid
SMILESCC(C)n1ccc(CNC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-11(2)18-9-8-13(17-18)10-16-14(15(19)20)12-6-4-3-5-7-12/h3-9,11,14,16H,10H2,1-2H3,(H,19,20)
InChIKeyWTHXLBNOFBZLPZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.38
Rot. Bonds6

About 2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid

2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid (PubChem CID 64772221) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid
PubChem CID64772221
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid
SMILESCC(C)n1ccc(CNC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-11(2)18-9-8-13(17-18)10-16-14(15(19)20)12-6-4-3-5-7-12/h3-9,11,14,16H,10H2,1-2H3,(H,19,20)
InChIKeyWTHXLBNOFBZLPZ-UHFFFAOYSA-N
XLogP2.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119367836
2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
CID 62749098
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
2-[(1-methylpyrrol-3-yl)methylamino]-2-phenylacetic acid
CID 66398999
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
CID 171523336
(1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 81380918
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
2-phenyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)acetic acid
CID 63315133
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid?
The IUPAC name of 2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid (CID 64772221) is 2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid?
The canonical SMILES for 2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid is CC(C)n1ccc(CNC(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid?
The InChIKey is WTHXLBNOFBZLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)18-9-8-13(17-18)10-16-14(15(19)20)12-6-4-3-5-7-12/h3-9,11,14,16H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid?
2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid has a molecular weight of 273.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid is sourced from PubChem (CID 64772221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).