2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid

C21H17N3O2 — CID 67607241

IUPAC2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccccc2)nn1-c1ccnc2ccccc12
InChIInChI=1S/C21H17N3O2/c1-14-17(13-20(25)26)21(15-7-3-2-4-8-15)23-24(14)19-11-12-22-18-10-6-5-9-16(18)19/h2-12H,13H2,1H3,(H,25,26)
InChIKeyABPGVHAQYOKGMS-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.02
Rot. Bonds4

About 2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid

2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid (PubChem CID 67607241) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid
PubChem CID67607241
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccccc2)nn1-c1ccnc2ccccc12
InChIInChI=1S/C21H17N3O2/c1-14-17(13-20(25)26)21(15-7-3-2-4-8-15)23-24(14)19-11-12-22-18-10-6-5-9-16(18)19/h2-12H,13H2,1H3,(H,25,26)
InChIKeyABPGVHAQYOKGMS-UHFFFAOYSA-N
XLogP4.02
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.02
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-4-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid (CID 67607241) is 2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid is Cc1c(CC(=O)O)c(-c2ccccc2)nn1-c1ccnc2ccccc12.
What is the InChIKey of 2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid?
The InChIKey is ABPGVHAQYOKGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-17(13-20(25)26)21(15-7-3-2-4-8-15)23-24(14)19-11-12-22-18-10-6-5-9-16(18)19/h2-12H,13H2,1H3,(H,25,26).
What are the key properties of 2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid?
2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid has a molecular weight of 343.39 g/mol, XLogP of 4.02, 4 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-4-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 67607241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).