(2S)-2-(1H-pyrazol-4-yl)propanoic acid

C6H8N2O2 — CID 96637279

IUPAC(2S)-2-(1H-pyrazol-4-yl)propanoic acid
SMILESC[C@H](C(=O)O)c1cn[nH]c1
InChIInChI=1S/C6H8N2O2/c1-4(6(9)10)5-2-7-8-3-5/h2-4H,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyXYZVFOJOWNJCBG-BYPYZUCNSA-N
MW140.14 g/mol
LogP0.60
Rot. Bonds2

About (2S)-2-(1H-pyrazol-4-yl)propanoic acid

(2S)-2-(1H-pyrazol-4-yl)propanoic acid (PubChem CID 96637279) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (2S)-2-(1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1H-pyrazol-4-yl)propanoic acid
PubChem CID96637279
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(2S)-2-(1H-pyrazol-4-yl)propanoic acid
SMILESC[C@H](C(=O)O)c1cn[nH]c1
InChIInChI=1S/C6H8N2O2/c1-4(6(9)10)5-2-7-8-3-5/h2-4H,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyXYZVFOJOWNJCBG-BYPYZUCNSA-N
XLogP0.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-(1H-pyrazol-4-yl)propanoic acid (CID 96637279) is (2S)-2-(1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-(1H-pyrazol-4-yl)propanoic acid is C[C@H](C(=O)O)c1cn[nH]c1.
What is the InChIKey of (2S)-2-(1H-pyrazol-4-yl)propanoic acid?
The InChIKey is XYZVFOJOWNJCBG-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4(6(9)10)5-2-7-8-3-5/h2-4H,1H3,(H,7,8)(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-(1H-pyrazol-4-yl)propanoic acid?
(2S)-2-(1H-pyrazol-4-yl)propanoic acid has a molecular weight of 140.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 96637279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).