5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid

C19H18N2O2 — CID 70687707

IUPAC5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-17(18(19(22)23)21-20-13)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11H,9,12H2,1H3,(H,20,21)(H,22,23)
InChIKeyOUUYZJYPRXYIPJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.87
Rot. Bonds5

About 5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid

5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 70687707) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid
PubChem CID70687707
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-17(18(19(22)23)21-20-13)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11H,9,12H2,1H3,(H,20,21)(H,22,23)
InChIKeyOUUYZJYPRXYIPJ-UHFFFAOYSA-N
XLogP3.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid (CID 70687707) is 5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is OUUYZJYPRXYIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-17(18(19(22)23)21-20-13)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11H,9,12H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid?
5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 70687707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).