5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid

C16H13N3O2 — CID 11300445

IUPAC5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc3ncccc23)c1C1CC1
InChIInChI=1S/C16H13N3O2/c20-16(21)12-9-18-19(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-17-13/h1-5,8-10H,6-7H2,(H,20,21)
InChIKeyWSLKLYKPUZWAQW-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.00
Rot. Bonds3

About 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid

5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid (PubChem CID 11300445) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid
PubChem CID11300445
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc3ncccc23)c1C1CC1
InChIInChI=1S/C16H13N3O2/c20-16(21)12-9-18-19(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-17-13/h1-5,8-10H,6-7H2,(H,20,21)
InChIKeyWSLKLYKPUZWAQW-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid (CID 11300445) is 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cccc3ncccc23)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid?
The InChIKey is WSLKLYKPUZWAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(21)12-9-18-19(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-17-13/h1-5,8-10H,6-7H2,(H,20,21).
What are the key properties of 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid?
5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 11300445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).