(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

C15H18F3N5O3 — CID 146110786

IUPAC(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
SMILESCCn1nc(C(=O)NCc2nc(C(F)(F)F)no2)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C15H18F3N5O3/c1-4-23-12-8(3)25-7(2)5-9(12)11(21-23)13(24)19-6-10-20-14(22-26-10)15(16,17)18/h7-8H,4-6H2,1-3H3,(H,19,24)/t7-,8+/m1/s1
InChIKeyXAQSFDLSCKGWSA-SFYZADRCSA-N
MW373.34 g/mol
LogP2.26
Rot. Bonds4

About (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

(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 (PubChem CID 146110786) has the molecular formula C15H18F3N5O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146110786
Molecular FormulaC15H18F3N5O3
Molecular Weight373.34 g/mol
Exact Mass373.14
IUPAC Name(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
SMILESCCn1nc(C(=O)NCc2nc(C(F)(F)F)no2)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C15H18F3N5O3/c1-4-23-12-8(3)25-7(2)5-9(12)11(21-23)13(24)19-6-10-20-14(22-26-10)15(16,17)18/h7-8H,4-6H2,1-3H3,(H,19,24)/t7-,8+/m1/s1
InChIKeyXAQSFDLSCKGWSA-SFYZADRCSA-N
XLogP2.26
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCn1nc(C(=O)NCc2nc(C(F)(F)F)no2)c2c1[C@H](C)O[C@H](C)C2.
What is the InChIKey of (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?
The InChIKey is XAQSFDLSCKGWSA-SFYZADRCSA-N. The full InChI is InChI=1S/C15H18F3N5O3/c1-4-23-12-8(3)25-7(2)5-9(12)11(21-23)13(24)19-6-10-20-14(22-26-10)15(16,17)18/h7-8H,4-6H2,1-3H3,(H,19,24)/t7-,8+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 373.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146110786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).