2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid

C14H11N3O2 — CID 60874419

IUPAC2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid
SMILESCc1cnn(-c2cc(C(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C14H11N3O2/c1-9-7-15-17(8-9)13-6-11(14(18)19)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H,18,19)
InChIKeyYXPMFULKWOFTHZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.43
Rot. Bonds2

About 2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid

2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid (PubChem CID 60874419) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid
PubChem CID60874419
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid
SMILESCc1cnn(-c2cc(C(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C14H11N3O2/c1-9-7-15-17(8-9)13-6-11(14(18)19)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H,18,19)
InChIKeyYXPMFULKWOFTHZ-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromopyrazol-1-yl)quinoline-4-carboxylic acid
CID 54909506
N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine
CID 62294566
6-(4-methylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 62254263
2-(2-methylimidazol-1-yl)quinoline-4-carboxylic acid
CID 43332209
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-(3-cyclopropylpyrazol-1-yl)quinoline-4-carboxylic acid
CID 62493957
2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic acid
CID 64781781
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 81108049
cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)
CID 140695209
2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid
CID 113379579
[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol
CID 61255216
N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine
CID 80852984

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid (CID 60874419) is 2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid is Cc1cnn(-c2cc(C(=O)O)c3ccccc3n2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid?
The InChIKey is YXPMFULKWOFTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-7-15-17(8-9)13-6-11(14(18)19)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H,18,19).
What are the key properties of 2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid?
2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 60874419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).