1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid

C11H9ClN2O3 — CID 82131774

IUPAC1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2Cl)cc1CO
InChIInChI=1S/C11H9ClN2O3/c12-8-3-1-2-4-9(8)14-5-7(6-15)10(13-14)11(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyNODMKDLXBVBWSN-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.72
Rot. Bonds3

About 1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid

1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid (PubChem CID 82131774) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
PubChem CID82131774
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2Cl)cc1CO
InChIInChI=1S/C11H9ClN2O3/c12-8-3-1-2-4-9(8)14-5-7(6-15)10(13-14)11(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyNODMKDLXBVBWSN-UHFFFAOYSA-N
XLogP1.72
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 43318037
1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 58386073
1-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]propan-2-one
CID 116817835
1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
CID 43318004
4-butyl-1-(2-chloro-3-phenylphenyl)pyrazole-3-carboxylic acid
CID 174501647
4-(2-hydroxyethyl)-1-(2-methylsulfanylphenyl)pyrazole-3-carboxylic acid
CID 43318061
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid
CID 120519872
1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43381532
1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 43173419
2-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]acetaldehyde
CID 83896288
1-(2-chlorophenyl)-4-(hydroxymethyl)-5-(2-hydroxyphenyl)pyrazole-3-carboxylic acid
CID 175250676
1-(4-ethoxyphenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 82133213

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid (CID 82131774) is 1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2Cl)cc1CO.
What is the InChIKey of 1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid?
The InChIKey is NODMKDLXBVBWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c12-8-3-1-2-4-9(8)14-5-7(6-15)10(13-14)11(16)17/h1-5,15H,6H2,(H,16,17).
What are the key properties of 1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid?
1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid has a molecular weight of 252.66 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82131774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).