2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide

C16H13F3N4O — CID 867904

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H13F3N4O/c1-10-6-14(16(17,18)19)22-23(10)9-15(24)21-12-7-11-4-2-3-5-13(11)20-8-12/h2-8H,9H2,1H3,(H,21,24)
InChIKeyMIWQSYMMBRQQHX-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.40
Rot. Bonds3

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide (PubChem CID 867904) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide
PubChem CID867904
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H13F3N4O/c1-10-6-14(16(17,18)19)22-23(10)9-15(24)21-12-7-11-4-2-3-5-13(11)20-8-12/h2-8H,9H2,1H3,(H,21,24)
InChIKeyMIWQSYMMBRQQHX-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.40
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-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide (CID 867904) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide?
The InChIKey is MIWQSYMMBRQQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-10-6-14(16(17,18)19)22-23(10)9-15(24)21-12-7-11-4-2-3-5-13(11)20-8-12/h2-8H,9H2,1H3,(H,21,24).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide has a molecular weight of 334.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-quinolin-3-ylacetamide is sourced from PubChem (CID 867904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).