[(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

C16H23N3O2 — CID 125144117

IUPAC[(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)n1
InChIInChI=1S/C16H23N3O2/c1-11(2)19-8-6-13(17-19)15(20)18-10-16(7-3-9-21-16)14(18)12-4-5-12/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3/t14-,16-/m1/s1
InChIKeyCSEOGOCIHLVKMR-GDBMZVCRSA-N
MW289.38 g/mol
LogP2.25
Rot. Bonds3

About [(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

[(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 125144117) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID125144117
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)n1
InChIInChI=1S/C16H23N3O2/c1-11(2)19-8-6-13(17-19)15(20)18-10-16(7-3-9-21-16)14(18)12-4-5-12/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3/t14-,16-/m1/s1
InChIKeyCSEOGOCIHLVKMR-GDBMZVCRSA-N
XLogP2.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 166208477
(2-chloro-4-pyridinyl)-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 122140489
(2S)-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365692
[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 129491193
[2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122152024
1-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 126804464
(3aS,7aS)-2-(1-propan-2-ylpyrazole-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627271
(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 59729279
2-[4-(1-propan-2-ylpyrazole-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210178
(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122154914
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122136096

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (CID 125144117) is [(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1ccc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)n1.
What is the InChIKey of [(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is CSEOGOCIHLVKMR-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)19-8-6-13(17-19)15(20)18-10-16(7-3-9-21-16)14(18)12-4-5-12/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of [(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
[(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 125144117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).