N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide

C15H10F3N5O — CID 59607031

IUPACN-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(-n2ccc(C(F)(F)F)n2)nc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)12-5-7-23(22-12)13-4-3-10(8-20-13)14(24)21-11-2-1-6-19-9-11/h1-9H,(H,21,24)
InChIKeyWDMVXEDHSPXSIR-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.93
Rot. Bonds3

About N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide

N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 59607031) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID59607031
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC NameN-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(-n2ccc(C(F)(F)F)n2)nc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)12-5-7-23(22-12)13-4-3-10(8-20-13)14(24)21-11-2-1-6-19-9-11/h1-9H,(H,21,24)
InChIKeyWDMVXEDHSPXSIR-UHFFFAOYSA-N
XLogP2.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide (CID 59607031) is N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide is O=C(Nc1cccnc1)c1ccc(-n2ccc(C(F)(F)F)n2)nc1.
What is the InChIKey of N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is WDMVXEDHSPXSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)12-5-7-23(22-12)13-4-3-10(8-20-13)14(24)21-11-2-1-6-19-9-11/h1-9H,(H,21,24).
What are the key properties of N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide?
N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 333.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59607031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).