(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

C16H20F3N5O3 — CID 146093490

IUPAC(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
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCCCc2noc(C(F)(F)F)n2)[C@H](C)O1
InChIInChI=1S/C16H20F3N5O3/c1-8-7-10-12(9(2)26-8)22-24(3)13(10)14(25)20-6-4-5-11-21-15(27-23-11)16(17,18)19/h8-9H,4-7H2,1-3H3,(H,20,25)/t8-,9+/m1/s1
InChIKeyTWUIIJHDEQCCMV-BDAKNGLRSA-N
MW387.36 g/mol
LogP2.21
Rot. Bonds5

About (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

(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 (PubChem CID 146093490) has the molecular formula C16H20F3N5O3 and a molecular weight of 387.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146093490
Molecular FormulaC16H20F3N5O3
Molecular Weight387.36 g/mol
Exact Mass387.15
IUPAC Name(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
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCCCc2noc(C(F)(F)F)n2)[C@H](C)O1
InChIInChI=1S/C16H20F3N5O3/c1-8-7-10-12(9(2)26-8)22-24(3)13(10)14(25)20-6-4-5-11-21-15(27-23-11)16(17,18)19/h8-9H,4-7H2,1-3H3,(H,20,25)/t8-,9+/m1/s1
InChIKeyTWUIIJHDEQCCMV-BDAKNGLRSA-N
XLogP2.21
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1Cc2c(nn(C)c2C(=O)NCCCc2noc(C(F)(F)F)n2)[C@H](C)O1.
What is the InChIKey of (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?
The InChIKey is TWUIIJHDEQCCMV-BDAKNGLRSA-N. The full InChI is InChI=1S/C16H20F3N5O3/c1-8-7-10-12(9(2)26-8)22-24(3)13(10)14(25)20-6-4-5-11-21-15(27-23-11)16(17,18)19/h8-9H,4-7H2,1-3H3,(H,20,25)/t8-,9+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 387.36 g/mol, XLogP of 2.21, 5 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-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).