(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

C15H19F3N6O2 — CID 146100238

IUPAC(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
SMILESCCn1nc2c(c1C(=O)NCc1nc(C(F)(F)F)n[nH]1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C15H19F3N6O2/c1-4-24-12(9-5-7(2)26-8(3)11(9)23-24)13(25)19-6-10-20-14(22-21-10)15(16,17)18/h7-8H,4-6H2,1-3H3,(H,19,25)(H,20,21,22)/t7-,8+/m0/s1
InChIKeyOHRGADPQOACEKO-JGVFFNPUSA-N
MW372.35 g/mol
LogP1.99
Rot. Bonds4

About (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

(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 (PubChem CID 146100238) has the molecular formula C15H19F3N6O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146100238
Molecular FormulaC15H19F3N6O2
Molecular Weight372.35 g/mol
Exact Mass372.15
IUPAC Name(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
SMILESCCn1nc2c(c1C(=O)NCc1nc(C(F)(F)F)n[nH]1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C15H19F3N6O2/c1-4-24-12(9-5-7(2)26-8(3)11(9)23-24)13(25)19-6-10-20-14(22-21-10)15(16,17)18/h7-8H,4-6H2,1-3H3,(H,19,25)(H,20,21,22)/t7-,8+/m0/s1
InChIKeyOHRGADPQOACEKO-JGVFFNPUSA-N
XLogP1.99
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCn1nc2c(c1C(=O)NCc1nc(C(F)(F)F)n[nH]1)C[C@H](C)O[C@@H]2C.
What is the InChIKey of (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?
The InChIKey is OHRGADPQOACEKO-JGVFFNPUSA-N. The full InChI is InChI=1S/C15H19F3N6O2/c1-4-24-12(9-5-7(2)26-8(3)11(9)23-24)13(25)19-6-10-20-14(22-21-10)15(16,17)18/h7-8H,4-6H2,1-3H3,(H,19,25)(H,20,21,22)/t7-,8+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 372.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146100238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).