2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid

C15H13N3O2 — CID 6485411

IUPAC2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid
SMILESCc1ccnn1Cc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-16-18(10)9-11-8-13(15(19)20)12-4-2-3-5-14(12)17-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyOKRIIXQGYJWTIZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.49
Rot. Bonds3

About 2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid

2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid (PubChem CID 6485411) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid
PubChem CID6485411
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid
SMILESCc1ccnn1Cc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-16-18(10)9-11-8-13(15(19)20)12-4-2-3-5-14(12)17-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyOKRIIXQGYJWTIZ-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid (CID 6485411) is 2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid is Cc1ccnn1Cc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
The InChIKey is OKRIIXQGYJWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-6-7-16-18(10)9-11-8-13(15(19)20)12-4-2-3-5-14(12)17-11/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid?
2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazol-1-yl)methyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 6485411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).