2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid

C13H14FN3O2 — CID 170879426

IUPAC2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
SMILESCc1c(CC(N)C(=O)O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2/c1-8-9(6-12(15)13(18)19)7-16-17(8)11-4-2-10(14)3-5-11/h2-5,7,12H,6,15H2,1H3,(H,18,19)
InChIKeyRHJWFJAXPAITDL-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid

2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid (PubChem CID 170879426) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
PubChem CID170879426
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
SMILESCc1c(CC(N)C(=O)O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2/c1-8-9(6-12(15)13(18)19)7-16-17(8)11-4-2-10(14)3-5-11/h2-5,7,12H,6,15H2,1H3,(H,18,19)
InChIKeyRHJWFJAXPAITDL-UHFFFAOYSA-N
XLogP1.27
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
CID 170892804
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83887983
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
CID 170882074
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489
N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119582420
1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid
CID 165453860
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propanoic acid
CID 83836941
2-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119170322
(2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119368921
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid (CID 170879426) is 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid is Cc1c(CC(N)C(=O)O)cnn1-c1ccc(F)cc1.
What is the InChIKey of 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid?
The InChIKey is RHJWFJAXPAITDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-9(6-12(15)13(18)19)7-16-17(8)11-4-2-10(14)3-5-11/h2-5,7,12H,6,15H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid?
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid has a molecular weight of 263.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid is sourced from PubChem (CID 170879426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).