3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

C11H10N2O4 — CID 135658624

IUPAC3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)[nH]n2)ccc1O
InChIInChI=1S/C11H10N2O4/c1-17-10-4-6(2-3-9(10)14)7-5-8(11(15)16)13-12-7/h2-5,14H,1H3,(H,12,13)(H,15,16)
InChIKeyOPWHJFYYXXCQFH-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.49
Rot. Bonds3

About 3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 135658624) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID135658624
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)[nH]n2)ccc1O
InChIInChI=1S/C11H10N2O4/c1-17-10-4-6(2-3-9(10)14)7-5-8(11(15)16)13-12-7/h2-5,14H,1H3,(H,12,13)(H,15,16)
InChIKeyOPWHJFYYXXCQFH-UHFFFAOYSA-N
XLogP1.49
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-tert-butyl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3521834
3-[3-(fluoromethyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117378384
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686
3-(4-fluoro-3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378382
3-(3,4-dimethoxyphenyl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3413332
3-(3-formyl-4,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442030
3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117430716
3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136942196
3-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117449674
3-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117499988

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 135658624) is 3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1cc(-c2cc(C(=O)O)[nH]n2)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is OPWHJFYYXXCQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-10-4-6(2-3-9(10)14)7-5-8(11(15)16)13-12-7/h2-5,14H,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 135658624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).