2-(4-phenylpyrazol-1-yl)acetic acid

C11H10N2O2 — CID 62770435

IUPAC2-(4-phenylpyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C11H10N2O2/c14-11(15)8-13-7-10(6-12-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
InChIKeyBLHJEYXABKCPQW-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.63
Rot. Bonds3

About 2-(4-phenylpyrazol-1-yl)acetic acid

2-(4-phenylpyrazol-1-yl)acetic acid (PubChem CID 62770435) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(4-phenylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-phenylpyrazol-1-yl)acetic acid
PubChem CID62770435
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(4-phenylpyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C11H10N2O2/c14-11(15)8-13-7-10(6-12-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
InChIKeyBLHJEYXABKCPQW-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-phenylpyrazol-1-yl)acetic acid (CID 62770435) is 2-(4-phenylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-phenylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-phenylpyrazol-1-yl)acetic acid is O=C(O)Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-(4-phenylpyrazol-1-yl)acetic acid?
The InChIKey is BLHJEYXABKCPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(15)8-13-7-10(6-12-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15).
What are the key properties of 2-(4-phenylpyrazol-1-yl)acetic acid?
2-(4-phenylpyrazol-1-yl)acetic acid has a molecular weight of 202.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 62770435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).