(5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C18H27F3N4O2 — CID 129347929

IUPAC(5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCC(C)c1nn(C)cc1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1
InChIInChI=1S/C18H27F3N4O2/c1-12(2)15-13(10-24(3)23-15)22-16(26)25-7-4-14(18(19,20)21)17(11-25)5-8-27-9-6-17/h10,12,14H,4-9,11H2,1-3H3,(H,22,26)/t14-/m1/s1
InChIKeySVTBHBTYVIBDJB-CQSZACIVSA-N
MW388.43 g/mol
LogP3.76
Rot. Bonds2

About (5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

(5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 129347929) has the molecular formula C18H27F3N4O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is (5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID129347929
Molecular FormulaC18H27F3N4O2
Molecular Weight388.43 g/mol
Exact Mass388.21
IUPAC Name(5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCC(C)c1nn(C)cc1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1
InChIInChI=1S/C18H27F3N4O2/c1-12(2)15-13(10-24(3)23-15)22-16(26)25-7-4-14(18(19,20)21)17(11-25)5-8-27-9-6-17/h10,12,14H,4-9,11H2,1-3H3,(H,22,26)/t14-/m1/s1
InChIKeySVTBHBTYVIBDJB-CQSZACIVSA-N
XLogP3.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of (5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 129347929) is (5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for (5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for (5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1.
What is the InChIKey of (5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is SVTBHBTYVIBDJB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27F3N4O2/c1-12(2)15-13(10-24(3)23-15)22-16(26)25-7-4-14(18(19,20)21)17(11-25)5-8-27-9-6-17/h10,12,14H,4-9,11H2,1-3H3,(H,22,26)/t14-/m1/s1.
What are the key properties of (5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
(5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 129347929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).