2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid

C22H19N3O2 — CID 67609133

IUPAC2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccc2ccccc2n1
InChIInChI=1S/C22H19N3O2/c1-15-19(13-21(26)27)22(17-8-3-2-4-9-17)24-25(15)14-18-12-11-16-7-5-6-10-20(16)23-18/h2-12H,13-14H2,1H3,(H,26,27)
InChIKeyUOONHCDJEXRVPR-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.08
Rot. Bonds5

About 2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid

2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid (PubChem CID 67609133) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid
PubChem CID67609133
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccc2ccccc2n1
InChIInChI=1S/C22H19N3O2/c1-15-19(13-21(26)27)22(17-8-3-2-4-9-17)24-25(15)14-18-12-11-16-7-5-6-10-20(16)23-18/h2-12H,13-14H2,1H3,(H,26,27)
InChIKeyUOONHCDJEXRVPR-UHFFFAOYSA-N
XLogP4.08
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid (CID 67609133) is 2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid is Cc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid?
The InChIKey is UOONHCDJEXRVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-19(13-21(26)27)22(17-8-3-2-4-9-17)24-25(15)14-18-12-11-16-7-5-6-10-20(16)23-18/h2-12H,13-14H2,1H3,(H,26,27).
What are the key properties of 2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid?
2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 67609133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).