6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C17H11F6N5O — CID 58336851

IUPAC6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnc(-c2cnn(-c3cccnc3)c2)cc1C(F)(F)F
InChIInChI=1S/C17H11F6N5O/c18-16(19,20)9-26-15(29)12-7-25-14(4-13(12)17(21,22)23)10-5-27-28(8-10)11-2-1-3-24-6-11/h1-8H,9H2,(H,26,29)
InChIKeyQDHSTPFNLKOOND-UHFFFAOYSA-N
MW415.30 g/mol
LogP3.64
Rot. Bonds4

About 6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58336851) has the molecular formula C17H11F6N5O and a molecular weight of 415.30 g/mol. Its IUPAC name is 6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58336851
Molecular FormulaC17H11F6N5O
Molecular Weight415.30 g/mol
Exact Mass415.09
IUPAC Name6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnc(-c2cnn(-c3cccnc3)c2)cc1C(F)(F)F
InChIInChI=1S/C17H11F6N5O/c18-16(19,20)9-26-15(29)12-7-25-14(4-13(12)17(21,22)23)10-5-27-28(8-10)11-2-1-3-24-6-11/h1-8H,9H2,(H,26,29)
InChIKeyQDHSTPFNLKOOND-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 58336851) is 6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCC(F)(F)F)c1cnc(-c2cnn(-c3cccnc3)c2)cc1C(F)(F)F.
What is the InChIKey of 6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QDHSTPFNLKOOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N5O/c18-16(19,20)9-26-15(29)12-7-25-14(4-13(12)17(21,22)23)10-5-27-28(8-10)11-2-1-3-24-6-11/h1-8H,9H2,(H,26,29).
What are the key properties of 6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 415.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-pyridin-3-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58336851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).