2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid

C12H12N2O3 — CID 105423482

IUPAC2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid
SMILESCn1ncc(-c2ccc(O)cc2)c1CC(=O)O
InChIInChI=1S/C12H12N2O3/c1-14-11(6-12(16)17)10(7-13-14)8-2-4-9(15)5-3-8/h2-5,7,15H,6H2,1H3,(H,16,17)
InChIKeyZIDCCNZGOUEXFK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.42
Rot. Bonds3

About 2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid

2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid (PubChem CID 105423482) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid
PubChem CID105423482
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid
SMILESCn1ncc(-c2ccc(O)cc2)c1CC(=O)O
InChIInChI=1S/C12H12N2O3/c1-14-11(6-12(16)17)10(7-13-14)8-2-4-9(15)5-3-8/h2-5,7,15H,6H2,1H3,(H,16,17)
InChIKeyZIDCCNZGOUEXFK-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-yl]acetic acid
CID 84606316
4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
CID 105423469
2-[1-methyl-4-(3-propan-2-ylphenyl)pyrazol-5-yl]acetic acid
CID 167863116
2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423713
4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
CID 115053624
(1-methyl-4-phenylpyrazol-5-yl)methanol
CID 83383743
4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one
CID 117127654
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
[4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol
CID 89482659
6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]naphthalen-2-ol
CID 167849922
2-[4-(4-amino-1-methylpyrazol-5-yl)phenyl]acetic acid
CID 165477117
4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
CID 136758061

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid (CID 105423482) is 2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid is Cn1ncc(-c2ccc(O)cc2)c1CC(=O)O.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid?
The InChIKey is ZIDCCNZGOUEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14-11(6-12(16)17)10(7-13-14)8-2-4-9(15)5-3-8/h2-5,7,15H,6H2,1H3,(H,16,17).
What are the key properties of 2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid?
2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid is sourced from PubChem (CID 105423482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).