2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid

C7H10FN3O2 — CID 178095746

IUPAC2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid
SMILESCc1[nH]nc(CC(N)C(=O)O)c1F
InChIInChI=1S/C7H10FN3O2/c1-3-6(8)5(11-10-3)2-4(9)7(12)13/h4H,2,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyDGJHBZXSVHPQJZ-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.19
Rot. Bonds3

About 2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid

2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid (PubChem CID 178095746) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid
PubChem CID178095746
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid
SMILESCc1[nH]nc(CC(N)C(=O)O)c1F
InChIInChI=1S/C7H10FN3O2/c1-3-6(8)5(11-10-3)2-4(9)7(12)13/h4H,2,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyDGJHBZXSVHPQJZ-UHFFFAOYSA-N
XLogP-0.19
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-amino-2-carboxyethyl)-4-fluoro-1H-pyrazol-3-yl]astatine
CID 178095652
(2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
CID 102354753
2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 62961134
(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
CID 6992999
(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
CID 131055961
[4-(2-amino-2-carboxyethyl)-5-fluoro-1H-pyrazol-3-yl]astatine
CID 178095561
2-amino-3-(4-fluoro-2-methyl-1H-imidazol-5-yl)propanoic acid
CID 130060912
4-fluoro-5-methyl-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 130619260
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162
2-amino-3-(5-fluoro-6-iodo-2-methoxypyrimidin-4-yl)propanoic acid
CID 178095887
(2S)-2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
CID 68718009
2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid
CID 178095816

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid (CID 178095746) is 2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid is Cc1[nH]nc(CC(N)C(=O)O)c1F.
What is the InChIKey of 2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid?
The InChIKey is DGJHBZXSVHPQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-3-6(8)5(11-10-3)2-4(9)7(12)13/h4H,2,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid?
2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid has a molecular weight of 187.17 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 178095746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).