3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

C10H7ClN2O3 — CID 137017195

IUPAC3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)cc2Cl)n[nH]1
InChIInChI=1S/C10H7ClN2O3/c11-7-3-5(14)1-2-6(7)8-4-9(10(15)16)13-12-8/h1-4,14H,(H,12,13)(H,15,16)
InChIKeySMQQKFDQPSHLMO-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.13
Rot. Bonds2

About 3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 137017195) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID137017195
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)cc2Cl)n[nH]1
InChIInChI=1S/C10H7ClN2O3/c11-7-3-5(14)1-2-6(7)8-4-9(10(15)16)13-12-8/h1-4,14H,(H,12,13)(H,15,16)
InChIKeySMQQKFDQPSHLMO-UHFFFAOYSA-N
XLogP2.13
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137013113
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(2-chloro-3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117384630
3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136991076
3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide
CID 134315879
3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
CID 136968351
3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 117411337
3-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111366
3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117378288
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117441323

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 137017195) is 3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(O)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is SMQQKFDQPSHLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-7-3-5(14)1-2-6(7)8-4-9(10(15)16)13-12-8/h1-4,14H,(H,12,13)(H,15,16).
What are the key properties of 3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 137017195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).