(5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C15H22N4O — CID 166939962

IUPAC(5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCCn1ccc(-c2nn3c(c2C(C)C)O[C@H](C)CC3)n1
InChIInChI=1S/C15H22N4O/c1-5-18-8-7-12(16-18)14-13(10(2)3)15-19(17-14)9-6-11(4)20-15/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m1/s1
InChIKeyZRYSWFMXKPQDQB-LLVKDONJSA-N
MW274.37 g/mol
LogP3.06
Rot. Bonds3

About (5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

(5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 166939962) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID166939962
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCCn1ccc(-c2nn3c(c2C(C)C)O[C@H](C)CC3)n1
InChIInChI=1S/C15H22N4O/c1-5-18-8-7-12(16-18)14-13(10(2)3)15-19(17-14)9-6-11(4)20-15/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m1/s1
InChIKeyZRYSWFMXKPQDQB-LLVKDONJSA-N
XLogP3.06
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-Oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene
CID 59179367
2-ethoxy-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)pyridine
CID 131939002
2-ethoxy-3-(1-isopropyl-3-methyl-1H-pyrazol-4-yl)pyridine
CID 131942525
4-(2-fluoro-2-methylhexoxy)-3-methylidene-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridine
CID 126711104
4-(2,2-dimethylpropoxy)-2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-methylidene-1H-pyrrolo[3,4-c]pyridine
CID 154949227
(5R)-3,5-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166940004
(5R)-2-[1-(1-fluoroethyl)pyrazol-4-yl]-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166940010
(5S)-2-(3-fluoro-4-pyridinyl)-3,5-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166940019
2-(2-fluorophenyl)-3-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166940043
(5R)-3-ethyl-2-(3-fluoro-4-pyridinyl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166940136
3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166940145
3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166940149

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 166939962) is (5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CCn1ccc(-c2nn3c(c2C(C)C)O[C@H](C)CC3)n1.
What is the InChIKey of (5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is ZRYSWFMXKPQDQB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-18-8-7-12(16-18)14-13(10(2)3)15-19(17-14)9-6-11(4)20-15/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m1/s1.
What are the key properties of (5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 274.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(1-ethylpyrazol-3-yl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 166939962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).