(2S)-2-pyrazol-1-ylpropanoic acid

C6H8N2O2 — CID 42574694

IUPAC(2S)-2-pyrazol-1-ylpropanoic acid
SMILESC[C@@H](C(=O)O)n1cccn1
InChIInChI=1S/C6H8N2O2/c1-5(6(9)10)8-4-2-3-7-8/h2-5H,1H3,(H,9,10)/t5-/m0/s1
InChIKeyBIFKSWDIQROCGX-YFKPBYRVSA-N
MW140.14 g/mol
LogP0.53
Rot. Bonds2

About (2S)-2-pyrazol-1-ylpropanoic acid

(2S)-2-pyrazol-1-ylpropanoic acid (PubChem CID 42574694) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (2S)-2-pyrazol-1-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-pyrazol-1-ylpropanoic acid
PubChem CID42574694
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(2S)-2-pyrazol-1-ylpropanoic acid
SMILESC[C@@H](C(=O)O)n1cccn1
InChIInChI=1S/C6H8N2O2/c1-5(6(9)10)8-4-2-3-7-8/h2-5H,1H3,(H,9,10)/t5-/m0/s1
InChIKeyBIFKSWDIQROCGX-YFKPBYRVSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-amino-1H-pyrazole-1-propanoic acid
CID 119630
2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
2-(4-chloro-1H-pyrazol-1-yl)propanoic acid
CID 6485374
1H-Pyrazol-1-ylacetic acid
CID 3717462
Pyrazole-1-butyric acid
CID 3066548
(2S)-2-ammonio-3-(1H-pyrazol-1-yl)propanoate
CID 25203312
beta-Pyrazol-1-ylalanine
CID 151491
3-(1H-pyrazol-1-yl)propanoic acid
CID 1092972
3-(1H-Pyrazol-1-yl)butanoic acid
CID 3159310
2-methyl-3-(1H-pyrazol-1-yl)propanoic acid
CID 6483897
1-(1H-pyrazol-1-yl)propan-2-one
CID 5155003
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyrazol-1-ylpropanoic acid?
The IUPAC name of (2S)-2-pyrazol-1-ylpropanoic acid (CID 42574694) is (2S)-2-pyrazol-1-ylpropanoic acid.
What is the SMILES notation for (2S)-2-pyrazol-1-ylpropanoic acid?
The canonical SMILES for (2S)-2-pyrazol-1-ylpropanoic acid is C[C@@H](C(=O)O)n1cccn1.
What is the InChIKey of (2S)-2-pyrazol-1-ylpropanoic acid?
The InChIKey is BIFKSWDIQROCGX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5(6(9)10)8-4-2-3-7-8/h2-5H,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-pyrazol-1-ylpropanoic acid?
(2S)-2-pyrazol-1-ylpropanoic acid has a molecular weight of 140.14 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyrazol-1-ylpropanoic acid is sourced from PubChem (CID 42574694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).