(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

C14H16F3N5O3 — CID 146093346

IUPAC(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
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2noc(C(F)(F)F)n2)[C@H](C)O1
InChIInChI=1S/C14H16F3N5O3/c1-6-4-8-10(7(2)24-6)20-22(3)11(8)12(23)18-5-9-19-13(25-21-9)14(15,16)17/h6-7H,4-5H2,1-3H3,(H,18,23)/t6-,7+/m1/s1
InChIKeyKJDQJJUPLWPCQX-RQJHMYQMSA-N
MW359.31 g/mol
LogP1.77
Rot. Bonds3

About (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

(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 (PubChem CID 146093346) has the molecular formula C14H16F3N5O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146093346
Molecular FormulaC14H16F3N5O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Name(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
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2noc(C(F)(F)F)n2)[C@H](C)O1
InChIInChI=1S/C14H16F3N5O3/c1-6-4-8-10(7(2)24-6)20-22(3)11(8)12(23)18-5-9-19-13(25-21-9)14(15,16)17/h6-7H,4-5H2,1-3H3,(H,18,23)/t6-,7+/m1/s1
InChIKeyKJDQJJUPLWPCQX-RQJHMYQMSA-N
XLogP1.77
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1Cc2c(nn(C)c2C(=O)NCc2noc(C(F)(F)F)n2)[C@H](C)O1.
What is the InChIKey of (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?
The InChIKey is KJDQJJUPLWPCQX-RQJHMYQMSA-N. The full InChI is InChI=1S/C14H16F3N5O3/c1-6-4-8-10(7(2)24-6)20-22(3)11(8)12(23)18-5-9-19-13(25-21-9)14(15,16)17/h6-7H,4-5H2,1-3H3,(H,18,23)/t6-,7+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 359.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146093346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).