2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid

C12H12N2O2 — CID 171392752

IUPAC2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid
SMILESCC(C(=O)O)(c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C12H12N2O2/c1-12(11(15)16,10-7-8-13-14-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)(H,15,16)
InChIKeyRFTCAOGLSQKEER-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.80
Rot. Bonds3

About 2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid

2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid (PubChem CID 171392752) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid
PubChem CID171392752
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid
SMILESCC(C(=O)O)(c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C12H12N2O2/c1-12(11(15)16,10-7-8-13-14-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)(H,15,16)
InChIKeyRFTCAOGLSQKEER-UHFFFAOYSA-N
XLogP1.80
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid (CID 171392752) is 2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid is CC(C(=O)O)(c1ccccc1)c1ccn[nH]1.
What is the InChIKey of 2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid?
The InChIKey is RFTCAOGLSQKEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-12(11(15)16,10-7-8-13-14-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid?
2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 171392752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).