4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid

C18H16N2O4 — CID 1478012

IUPAC4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)O)cc1OC
InChIInChI=1S/C18H16N2O4/c1-23-15-9-8-12(10-16(15)24-2)14-11-20(19-17(14)18(21)22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,22)
InChIKeyMSYZXDXEOGMMEE-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.25
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid

4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid (PubChem CID 1478012) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
PubChem CID1478012
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)O)cc1OC
InChIInChI=1S/C18H16N2O4/c1-23-15-9-8-12(10-16(15)24-2)14-11-20(19-17(14)18(21)22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,22)
InChIKeyMSYZXDXEOGMMEE-UHFFFAOYSA-N
XLogP3.25
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 16594232
[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 16594388
N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide
CID 18149038
4-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 24595323
4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 24622479
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 16598960
[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24625309
4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 24594799
4-(3,4-dimethoxyphenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylpyrazole-3-carboxamide
CID 24597432
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 16613867
4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 55847917
N-[4-(tert-butylcarbamoyl)phenyl]-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 38257122

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid (CID 1478012) is 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid is COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is MSYZXDXEOGMMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-15-9-8-12(10-16(15)24-2)14-11-20(19-17(14)18(21)22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid?
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 1478012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).