5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid

C10H7ClN2O4 — CID 135732771

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1cc(Cl)c(O)cc1O
InChIInChI=1S/C10H7ClN2O4/c11-6-1-4(7(14)2-8(6)15)9-5(10(16)17)3-12-13-9/h1-3,14-15H,(H,12,13)(H,16,17)
InChIKeyAEKRFDQDPGIZCK-UHFFFAOYSA-N
MW254.63 g/mol
LogP1.84
Rot. Bonds2

About 5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid

5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 135732771) has the molecular formula C10H7ClN2O4 and a molecular weight of 254.63 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID135732771
Molecular FormulaC10H7ClN2O4
Molecular Weight254.63 g/mol
Exact Mass254.01
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1cc(Cl)c(O)cc1O
InChIInChI=1S/C10H7ClN2O4/c11-6-1-4(7(14)2-8(6)15)9-5(10(16)17)3-12-13-9/h1-3,14-15H,(H,12,13)(H,16,17)
InChIKeyAEKRFDQDPGIZCK-UHFFFAOYSA-N
XLogP1.84
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 5287470
4-chloro-6-[4-(4-methylpiperazin-1-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 135457293
5-(2,4-dibutoxy-5-chlorophenyl)-1H-pyrazole-4-carboxylic acid
CID 70850461
5-(2-bromophenyl)-1H-pyrazole-4-carboxylic acid
CID 22831680
5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane
CID 142903302
5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 83810704
5-(4-hydroxy-1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109249
5-(2,3-difluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 83810701
5-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
CID 83810706
5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
CID 28948764
5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 83810699
methyl 4-[4-[5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]piperazine-1-carbonyl]benzoate
CID 135430355

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid (CID 135732771) is 5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1-c1cc(Cl)c(O)cc1O.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is AEKRFDQDPGIZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4/c11-6-1-4(7(14)2-8(6)15)9-5(10(16)17)3-12-13-9/h1-3,14-15H,(H,12,13)(H,16,17).
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid?
5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 254.63 g/mol, XLogP of 1.84, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 135732771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).