5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid

C17H10Cl2N2O4 — CID 118735617

IUPAC5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H10Cl2N2O4/c18-12-6-5-11(7-13(12)19)21-15(8-14(20-21)17(24)25)9-1-3-10(4-2-9)16(22)23/h1-8H,(H,22,23)(H,24,25)
InChIKeyQXBIFHUHVQBEPO-UHFFFAOYSA-N
MW377.18 g/mol
LogP4.24
Rot. Bonds4

About 5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid

5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid (PubChem CID 118735617) has the molecular formula C17H10Cl2N2O4 and a molecular weight of 377.18 g/mol. Its IUPAC name is 5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
PubChem CID118735617
Molecular FormulaC17H10Cl2N2O4
Molecular Weight377.18 g/mol
Exact Mass376.00
IUPAC Name5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H10Cl2N2O4/c18-12-6-5-11(7-13(12)19)21-15(8-14(20-21)17(24)25)9-1-3-10(4-2-9)16(22)23/h1-8H,(H,22,23)(H,24,25)
InChIKeyQXBIFHUHVQBEPO-UHFFFAOYSA-N
XLogP4.24
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(aminomethyl)phenyl]-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 118735619
5-(4-cyanophenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 118735618
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
1-(3,4-dichlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
CID 29269124
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 5128071
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
1-(3-chlorophenyl)-5-(3,4-difluorophenyl)pyrazole-3-carboxylic acid
CID 58277418
1-(3-chloro-4-fluorophenyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazole-3-carboxylic acid
CID 58277289
5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
CID 82589309
5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid
CID 58277286
1-(3-carboxy-4-chlorophenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid
CID 22111795
3-(3,4-dichlorophenyl)benzotriazole-5-carboxylic acid
CID 82784404

Frequently Asked Questions

What is the IUPAC name of 5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid (CID 118735617) is 5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid is O=C(O)c1ccc(-c2cc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is QXBIFHUHVQBEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2O4/c18-12-6-5-11(7-13(12)19)21-15(8-14(20-21)17(24)25)9-1-3-10(4-2-9)16(22)23/h1-8H,(H,22,23)(H,24,25).
What are the key properties of 5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid?
5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 377.18 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 118735617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).