3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

C17H13ClN2O5 — CID 135519368

IUPAC3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)O)cc1
InChIInChI=1S/C17H13ClN2O5/c1-25-9-4-2-8(3-5-9)14-15(19-20-16(14)17(23)24)10-6-11(18)13(22)7-12(10)21/h2-7,21-22H,1H3,(H,19,20)(H,23,24)
InChIKeyVIBPEGKTQCWOSK-UHFFFAOYSA-N
MW360.75 g/mol
LogP3.52
Rot. Bonds4

About 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 135519368) has the molecular formula C17H13ClN2O5 and a molecular weight of 360.75 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID135519368
Molecular FormulaC17H13ClN2O5
Molecular Weight360.75 g/mol
Exact Mass360.05
IUPAC Name3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)O)cc1
InChIInChI=1S/C17H13ClN2O5/c1-25-9-4-2-8(3-5-9)14-15(19-20-16(14)17(23)24)10-6-11(18)13(22)7-12(10)21/h2-7,21-22H,1H3,(H,19,20)(H,23,24)
InChIKeyVIBPEGKTQCWOSK-UHFFFAOYSA-N
XLogP3.52
TPSA115.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 4369536
3-(5-Chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 135481178
3-(5-Chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135499841
N-Isopropyl-3-(5-Chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135507483
3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 135524913
5-(2,4-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 4737220
4-chloro-6-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 145974938
ethyl 3-[3-[3,5-bis(trifluoromethyl)phenyl]-4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]-1H-pyrazole-5-carboxylate
CID 141640684
3-[3-[3,5-bis(trifluoromethyl)phenyl]-4-[(4-chlorophenyl)methoxy]-2-hydroxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 141640821
3-(3-chloro-5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429461
3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429462
3-(3-chloro-2-fluoro-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429468

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 135519368) is 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)O)cc1.
What is the InChIKey of 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is VIBPEGKTQCWOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5/c1-25-9-4-2-8(3-5-9)14-15(19-20-16(14)17(23)24)10-6-11(18)13(22)7-12(10)21/h2-7,21-22H,1H3,(H,19,20)(H,23,24).
What are the key properties of 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 360.75 g/mol, XLogP of 3.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 135519368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).