3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid

C12H13N3O2 — CID 24705270

IUPAC3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid
SMILESNC(CC(=O)O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H13N3O2/c13-11(6-12(16)17)9-7-14-15(8-9)10-4-2-1-3-5-10/h1-5,7-8,11H,6,13H2,(H,16,17)
InChIKeyRYXQRSVUKGBSIN-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.35
Rot. Bonds4

About 3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid

3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid (PubChem CID 24705270) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid
PubChem CID24705270
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid
SMILESNC(CC(=O)O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H13N3O2/c13-11(6-12(16)17)9-7-14-15(8-9)10-4-2-1-3-5-10/h1-5,7-8,11H,6,13H2,(H,16,17)
InChIKeyRYXQRSVUKGBSIN-UHFFFAOYSA-N
XLogP1.35
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-1H-pyrazole-4-carboxylic acid
CID 121026
3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 7131733
2-Amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride
CID 118723771
Cambridge id 7246131
CID 2931649
2-(4-(1H-pyrazol-1-yl)phenyl)acetic acid
CID 12094244
2-(1-phenyl-1H-pyrazol-3-yl)acetic acid
CID 13036402
2-(1-phenyl-1H-pyrazol-4-yl)acetic acid
CID 16227746
2-(1-(4-fluorophenyl)-1H-pyrazol-3-yl)acetic acid
CID 54595655
1-[2-[(E)-(2-pyrazol-1-ylphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 155516380
3-(3-Aminophenyl)-1-phenyl-1H-pyrazole-4-propanoic acid
CID 2377176
N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 40075386
(3S*,5R*)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-5-{[(4-fluorophenyl)amino]carbonyl}-3-piperidinecarboxylic acid
CID 56864548

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid (CID 24705270) is 3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid is NC(CC(=O)O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid?
The InChIKey is RYXQRSVUKGBSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-11(6-12(16)17)9-7-14-15(8-9)10-4-2-1-3-5-10/h1-5,7-8,11H,6,13H2,(H,16,17).
What are the key properties of 3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid?
3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid has a molecular weight of 231.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1-phenylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 24705270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).