2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid

C14H14N2O3 — CID 117399041

IUPAC2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C14H14N2O3/c17-13(14(18)19)10-3-5-11(6-4-10)16-12(7-8-15-16)9-1-2-9/h3-9,13,17H,1-2H2,(H,18,19)
InChIKeyZJOMJSASHPYDEY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid

2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid (PubChem CID 117399041) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid
PubChem CID117399041
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C14H14N2O3/c17-13(14(18)19)10-3-5-11(6-4-10)16-12(7-8-15-16)9-1-2-9/h3-9,13,17H,1-2H2,(H,18,19)
InChIKeyZJOMJSASHPYDEY-UHFFFAOYSA-N
XLogP1.87
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid (CID 117399041) is 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(-n2nccc2C2CC2)cc1.
What is the InChIKey of 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid?
The InChIKey is ZJOMJSASHPYDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13(14(18)19)10-3-5-11(6-4-10)16-12(7-8-15-16)9-1-2-9/h3-9,13,17H,1-2H2,(H,18,19).
What are the key properties of 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid?
2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid has a molecular weight of 258.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117399041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).