N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide

C17H16F3N5O — CID 162592263

IUPACN,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide
SMILESCN(C)C(=O)C1C=C(c2cc(C(F)(F)F)n(-c3ccccn3)n2)C=CN1
InChIInChI=1S/C17H16F3N5O/c1-24(2)16(26)13-9-11(6-8-21-13)12-10-14(17(18,19)20)25(23-12)15-5-3-4-7-22-15/h3-10,13,21H,1-2H3
InChIKeyOPHAHHGPYPVWHL-UHFFFAOYSA-N
MW363.34 g/mol
LogP2.24
Rot. Bonds3

About N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide

N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide (PubChem CID 162592263) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide
PubChem CID162592263
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC NameN,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide
SMILESCN(C)C(=O)C1C=C(c2cc(C(F)(F)F)n(-c3ccccn3)n2)C=CN1
InChIInChI=1S/C17H16F3N5O/c1-24(2)16(26)13-9-11(6-8-21-13)12-10-14(17(18,19)20)25(23-12)15-5-3-4-7-22-15/h3-10,13,21H,1-2H3
InChIKeyOPHAHHGPYPVWHL-UHFFFAOYSA-N
XLogP2.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide (CID 162592263) is N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide is CN(C)C(=O)C1C=C(c2cc(C(F)(F)F)n(-c3ccccn3)n2)C=CN1.
What is the InChIKey of N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide?
The InChIKey is OPHAHHGPYPVWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-24(2)16(26)13-9-11(6-8-21-13)12-10-14(17(18,19)20)25(23-12)15-5-3-4-7-22-15/h3-10,13,21H,1-2H3.
What are the key properties of N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide?
N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,2-dihydropyridine-2-carboxamide is sourced from PubChem (CID 162592263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).