N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide

C17H13F3N4O — CID 2812002

IUPACN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide
SMILESCn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1cccnc1
InChIInChI=1S/C17H13F3N4O/c1-24-15(22-16(25)12-8-5-9-21-10-12)13(11-6-3-2-4-7-11)14(23-24)17(18,19)20/h2-10H,1H3,(H,22,25)
InChIKeyZYPOFINDIYVBKM-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.75
Rot. Bonds3

About N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide

N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide (PubChem CID 2812002) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide
PubChem CID2812002
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC NameN-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide
SMILESCn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1cccnc1
InChIInChI=1S/C17H13F3N4O/c1-24-15(22-16(25)12-8-5-9-21-10-12)13(11-6-3-2-4-7-11)14(23-24)17(18,19)20/h2-10H,1H3,(H,22,25)
InChIKeyZYPOFINDIYVBKM-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide (CID 2812002) is N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide is Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1cccnc1.
What is the InChIKey of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
The InChIKey is ZYPOFINDIYVBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-24-15(22-16(25)12-8-5-9-21-10-12)13(11-6-3-2-4-7-11)14(23-24)17(18,19)20/h2-10H,1H3,(H,22,25).
What are the key properties of N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2812002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).