5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C17H18F3N5O2 — CID 74912042

IUPAC5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnn1C1NC(=O)CC(C)N1
InChIInChI=1S/C17H18F3N5O2/c1-9-6-14(26)24-16(22-9)25-10(2)13(8-21-25)15(27)23-12-5-3-4-11(7-12)17(18,19)20/h3-5,7-9,16,22H,6H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyHKOSFSBRFPIIPY-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.42
Rot. Bonds3

About 5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 74912042) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID74912042
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnn1C1NC(=O)CC(C)N1
InChIInChI=1S/C17H18F3N5O2/c1-9-6-14(26)24-16(22-9)25-10(2)13(8-21-25)15(27)23-12-5-3-4-11(7-12)17(18,19)20/h3-5,7-9,16,22H,6H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyHKOSFSBRFPIIPY-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

N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 78714002
6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one
CID 78202559
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide
CID 146085815
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128973814
5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36704113
N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18208842
2,3-dimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248405
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514810
N-(3,5-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18290570
5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 74912042) is 5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnn1C1NC(=O)CC(C)N1.
What is the InChIKey of 5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is HKOSFSBRFPIIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c1-9-6-14(26)24-16(22-9)25-10(2)13(8-21-25)15(27)23-12-5-3-4-11(7-12)17(18,19)20/h3-5,7-9,16,22H,6H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide 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 5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 74912042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).