1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H13F3N4O — CID 24573002

IUPAC1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)18-15(12-25-27(18)13-6-2-1-3-7-13)19(28)26-17-10-4-9-16-14(17)8-5-11-24-16/h1-12H,(H,26,28)
InChIKeyDUXOKGWRJAWYFK-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.69
Rot. Bonds3

About 1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 24573002) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID24573002
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)18-15(12-25-27(18)13-6-2-1-3-7-13)19(28)26-17-10-4-9-16-14(17)8-5-11-24-16/h1-12H,(H,26,28)
InChIKeyDUXOKGWRJAWYFK-UHFFFAOYSA-N
XLogP4.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 24573002) is 1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cccc2ncccc12)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DUXOKGWRJAWYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)18-15(12-25-27(18)13-6-2-1-3-7-13)19(28)26-17-10-4-9-16-14(17)8-5-11-24-16/h1-12H,(H,26,28).
What are the key properties of 1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 382.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24573002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).