5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid

C20H20N2O4 — CID 90279973

IUPAC5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)nn2Cc2ccccc2C)c1
InChIInChI=1S/C20H20N2O4/c1-13-6-4-5-7-14(13)12-22-18(11-17(21-22)20(23)24)16-10-15(25-2)8-9-19(16)26-3/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyBPVYDKDZGSZHPU-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.62
Rot. Bonds6

About 5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid

5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid (PubChem CID 90279973) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid
PubChem CID90279973
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)nn2Cc2ccccc2C)c1
InChIInChI=1S/C20H20N2O4/c1-13-6-4-5-7-14(13)12-22-18(11-17(21-22)20(23)24)16-10-15(25-2)8-9-19(16)26-3/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyBPVYDKDZGSZHPU-UHFFFAOYSA-N
XLogP3.62
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide
CID 90281661
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid
CID 82306834
1-[(3-chloro-4-methylphenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid;hydrochloride
CID 67566503
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410542
1-[(3-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295044
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596439
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid (CID 90279973) is 5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid is COc1ccc(OC)c(-c2cc(C(=O)O)nn2Cc2ccccc2C)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid?
The InChIKey is BPVYDKDZGSZHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-6-4-5-7-14(13)12-22-18(11-17(21-22)20(23)24)16-10-15(25-2)8-9-19(16)26-3/h4-11H,12H2,1-3H3,(H,23,24).
What are the key properties of 5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid?
5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 90279973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).