(2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid

C17H14N2O3 — CID 95191576

IUPAC(2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid
SMILESO=C(O)[C@H](O)c1ccc(-c2cccc(-c3ccn[nH]3)c2)cc1
InChIInChI=1S/C17H14N2O3/c20-16(17(21)22)12-6-4-11(5-7-12)13-2-1-3-14(10-13)15-8-9-18-19-15/h1-10,16,20H,(H,18,19)(H,21,22)/t16-/m1/s1
InChIKeyRYGLWLURNZXKHN-MRXNPFEDSA-N
MW294.31 g/mol
LogP2.86
Rot. Bonds4

About (2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid

(2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid (PubChem CID 95191576) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid
PubChem CID95191576
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid
SMILESO=C(O)[C@H](O)c1ccc(-c2cccc(-c3ccn[nH]3)c2)cc1
InChIInChI=1S/C17H14N2O3/c20-16(17(21)22)12-6-4-11(5-7-12)13-2-1-3-14(10-13)15-8-9-18-19-15/h1-10,16,20H,(H,18,19)(H,21,22)/t16-/m1/s1
InChIKeyRYGLWLURNZXKHN-MRXNPFEDSA-N
XLogP2.86
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid (CID 95191576) is (2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid is O=C(O)[C@H](O)c1ccc(-c2cccc(-c3ccn[nH]3)c2)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid?
The InChIKey is RYGLWLURNZXKHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16(17(21)22)12-6-4-11(5-7-12)13-2-1-3-14(10-13)15-8-9-18-19-15/h1-10,16,20H,(H,18,19)(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid?
(2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 95191576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).