(3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane

C11H16FN3O — CID 135237347

IUPAC(3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cnn([C@H]2COC3(CCNCC3)C2)c1
InChIInChI=1S/C11H16FN3O/c12-9-6-14-15(7-9)10-5-11(16-8-10)1-3-13-4-2-11/h6-7,10,13H,1-5,8H2/t10-/m1/s1
InChIKeyUAZSVEAUXAHFQT-SNVBAGLBSA-N
MW225.27 g/mol
LogP1.11
Rot. Bonds1

About (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane

(3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 135237347) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID135237347
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cnn([C@H]2COC3(CCNCC3)C2)c1
InChIInChI=1S/C11H16FN3O/c12-9-6-14-15(7-9)10-5-11(16-8-10)1-3-13-4-2-11/h6-7,10,13H,1-5,8H2/t10-/m1/s1
InChIKeyUAZSVEAUXAHFQT-SNVBAGLBSA-N
XLogP1.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10858373, Example 12
CID 135238416
(3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135237190
Tert-butyl 3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 135237200
3-[[4-(Trifluoromethyl)pyrazol-1-yl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 135237221
(3S)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135237277
3-[4-(Trifluoromethyl)pyrazol-1-yl]-1-oxa-8-azaspiro[4.5]decane
CID 135237341
3-(4-Fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135240651
tert-butyl (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 135251170
propan-2-yl (3S)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 172798561
2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine
CID 75495488
(3S)-2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine
CID 97789048
(3R)-2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine
CID 97789049

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane (CID 135237347) is (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane is Fc1cnn([C@H]2COC3(CCNCC3)C2)c1.
What is the InChIKey of (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is UAZSVEAUXAHFQT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16FN3O/c12-9-6-14-15(7-9)10-5-11(16-8-10)1-3-13-4-2-11/h6-7,10,13H,1-5,8H2/t10-/m1/s1.
What are the key properties of (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 225.27 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 135237347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).