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

C17H22F3N5O2 — CID 146110661

IUPAC(5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(C)Cc3cn(C)nc3C(F)(F)F)nn(C)c2[C@H](C)O1
InChIInChI=1S/C17H22F3N5O2/c1-9-6-12-13(21-25(5)14(12)10(2)27-9)16(26)23(3)7-11-8-24(4)22-15(11)17(18,19)20/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeyCTESTQSBKOPGTF-ZJUUUORDSA-N
MW385.39 g/mol
LogP2.47
Rot. Bonds3

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

(5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146110661) has the molecular formula C17H22F3N5O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is (5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146110661
Molecular FormulaC17H22F3N5O2
Molecular Weight385.39 g/mol
Exact Mass385.17
IUPAC Name(5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(C)Cc3cn(C)nc3C(F)(F)F)nn(C)c2[C@H](C)O1
InChIInChI=1S/C17H22F3N5O2/c1-9-6-12-13(21-25(5)14(12)10(2)27-9)16(26)23(3)7-11-8-24(4)22-15(11)17(18,19)20/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeyCTESTQSBKOPGTF-ZJUUUORDSA-N
XLogP2.47
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 5-(2-ethyl-5-methylpyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26135622
ethyl 5-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26229889
ethyl 5-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26234712
ethyl 5-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 28312045
(5R,7S)-N,5,7-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145910802
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 145911008
(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
1-[1-Ethyl-3-(5-methyl-1,3-oxazol-2-YL)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-C]pyridin-5-YL]-2,2-difluoro-1-ethanone
CID 146067052
1-[1-(2-Ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-YL)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-C]pyridin-5-YL]-2,2-difluoro-1-ethanone
CID 146070696
[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076387
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076396
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076405

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146110661) is (5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)N(C)Cc3cn(C)nc3C(F)(F)F)nn(C)c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is CTESTQSBKOPGTF-ZJUUUORDSA-N. The full InChI is InChI=1S/C17H22F3N5O2/c1-9-6-12-13(21-25(5)14(12)10(2)27-9)16(26)23(3)7-11-8-24(4)22-15(11)17(18,19)20/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of (5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N,1,5,7-tetramethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146110661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).