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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Related Compounds

1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 139675317
5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one
CID 137413391
1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate
CID 22090459
3-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 126766676
3-amino-N-[6-[3-(4H-azepin-6-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
CID 143484546
5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23143661
N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide
CID 66328891
1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone
CID 170580254
5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
CID 46834058
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 56531740
N,N-dimethyl-1'-pyridin-2-ylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 142785057

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).