(5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C14H17F3N6O2 — CID 146110811

IUPAC(5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCc3nc(C(F)(F)F)n[nH]3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C14H17F3N6O2/c1-6-4-8-10(22-23(3)11(8)7(2)25-6)12(24)18-5-9-19-13(21-20-9)14(15,16)17/h6-7H,4-5H2,1-3H3,(H,18,24)(H,19,20,21)/t6-,7+/m1/s1
InChIKeyIJXLHSWBJMDWIB-RQJHMYQMSA-N
MW358.32 g/mol
LogP1.51
Rot. Bonds3

About (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146110811) has the molecular formula C14H17F3N6O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146110811
Molecular FormulaC14H17F3N6O2
Molecular Weight358.32 g/mol
Exact Mass358.14
IUPAC Name(5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCc3nc(C(F)(F)F)n[nH]3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C14H17F3N6O2/c1-6-4-8-10(22-23(3)11(8)7(2)25-6)12(24)18-5-9-19-13(21-20-9)14(15,16)17/h6-7H,4-5H2,1-3H3,(H,18,24)(H,19,20,21)/t6-,7+/m1/s1
InChIKeyIJXLHSWBJMDWIB-RQJHMYQMSA-N
XLogP1.51
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Related Compounds

[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 145910769
(5R,7S)-5,7-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145911018
(5R,7S)-N-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145911100
(5R,7S)-2,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093334
(5R,7S)-2,5,7-trimethyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093346
(5R,7S)-2,5,7-trimethyl-N-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093490
(5S,7R)-2-ethyl-5,7-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100238
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 146100319
(5R,7S)-1-ethyl-5,7-dimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110786
(5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146111036
(5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111285
(5R,7S)-5,7-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111315

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146110811) is (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NCc3nc(C(F)(F)F)n[nH]3)nn(C)c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is IJXLHSWBJMDWIB-RQJHMYQMSA-N. The full InChI is InChI=1S/C14H17F3N6O2/c1-6-4-8-10(22-23(3)11(8)7(2)25-6)12(24)18-5-9-19-13(21-20-9)14(15,16)17/h6-7H,4-5H2,1-3H3,(H,18,24)(H,19,20,21)/t6-,7+/m1/s1.
What are the key properties of (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-1,5,7-trimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146110811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).