N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide

C17H18F3N5O2 — CID 78714002

IUPACN-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n(C2NC(=O)CC(C)N2)n1
InChIInChI=1S/C17H18F3N5O2/c1-9-8-14(26)23-16(21-9)25-13(7-10(2)24-25)22-15(27)11-3-5-12(6-4-11)17(18,19)20/h3-7,9,16,21H,8H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyXFCXDJXDDIESDL-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.42
Rot. Bonds3

About N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide

N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 78714002) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID78714002
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC NameN-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n(C2NC(=O)CC(C)N2)n1
InChIInChI=1S/C17H18F3N5O2/c1-9-8-14(26)23-16(21-9)25-13(7-10(2)24-25)22-15(27)11-3-5-12(6-4-11)17(18,19)20/h3-7,9,16,21H,8H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyXFCXDJXDDIESDL-UHFFFAOYSA-N
XLogP2.42
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 74512880
2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713973
(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
CID 156591279
5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713976
3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide
CID 78713882
3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78714649
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 74908550
5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 74912042
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(4-tert-butylphenyl)urea
CID 74924556
N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide
CID 172652755
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339846
2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide (CID 78714002) is N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide is Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n(C2NC(=O)CC(C)N2)n1.
What is the InChIKey of N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is XFCXDJXDDIESDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c1-9-8-14(26)23-16(21-9)25-13(7-10(2)24-25)22-15(27)11-3-5-12(6-4-11)17(18,19)20/h3-7,9,16,21H,8H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 381.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 78714002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).