1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid

C17H12Cl2N2O3 — CID 66862655

IUPAC1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid
SMILESCOc1c(C(=O)O)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O3/c1-24-16-14(17(22)23)20-21(13-8-6-12(19)7-9-13)15(16)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,22,23)
InChIKeyYQMFRFKNAODXQB-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.55
Rot. Bonds4

About 1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid

1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid (PubChem CID 66862655) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid
PubChem CID66862655
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid
SMILESCOc1c(C(=O)O)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O3/c1-24-16-14(17(22)23)20-21(13-8-6-12(19)7-9-13)15(16)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,22,23)
InChIKeyYQMFRFKNAODXQB-UHFFFAOYSA-N
XLogP4.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-bis(4-chlorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 66641410
methyl 4-chloro-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 10717305
5-(4-chlorophenyl)-1-(3-fluoro-4-methoxyphenyl)triazole-4-carboxylic acid
CID 56768828
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide
CID 131863756
[3,5-bis(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl] hydrogen carbonate
CID 70280192
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide
CID 66863225
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 68567859
1-(4-chlorophenyl)-4-methoxypyrazole-5-carboxylic acid
CID 117233107
5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 86271988
2-[4-[5-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-1-yl]phenoxy]acetic acid
CID 59217895

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid?
The IUPAC name of 1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid (CID 66862655) is 1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid is COc1c(C(=O)O)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid?
The InChIKey is YQMFRFKNAODXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-24-16-14(17(22)23)20-21(13-8-6-12(19)7-9-13)15(16)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,22,23).
What are the key properties of 1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid?
1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid has a molecular weight of 363.20 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid is sourced from PubChem (CID 66862655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).