5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid

C17H13ClN2O3 — CID 82364034

IUPAC5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3ccccc3)c(C(=O)O)c2Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c1-23-13-9-7-12(8-10-13)20-16(18)14(17(21)22)15(19-20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)
InChIKeyFNXAPUXXUARNRB-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.90
Rot. Bonds4

About 5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid

5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid (PubChem CID 82364034) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
PubChem CID82364034
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3ccccc3)c(C(=O)O)c2Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c1-23-13-9-7-12(8-10-13)20-16(18)14(17(21)22)15(19-20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)
InChIKeyFNXAPUXXUARNRB-UHFFFAOYSA-N
XLogP3.90
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950
5-chloro-3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 55158417
3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3849112
1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3608503
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
5-chloro-3-phenyl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 43531878
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 101091522
4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile
CID 154708815
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
3-(4-bromophenyl)-1-(4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3795495
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid (CID 82364034) is 5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid is COc1ccc(-n2nc(-c3ccccc3)c(C(=O)O)c2Cl)cc1.
What is the InChIKey of 5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid?
The InChIKey is FNXAPUXXUARNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-13-9-7-12(8-10-13)20-16(18)14(17(21)22)15(19-20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22).
What are the key properties of 5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid?
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid has a molecular weight of 328.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82364034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).