(5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C12H16N4O — CID 166939117

IUPAC(5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1c(-c2cnn(C)c2)nn2c1O[C@H](C)CC2
InChIInChI=1S/C12H16N4O/c1-8-4-5-16-12(17-8)9(2)11(14-16)10-6-13-15(3)7-10/h6-8H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyUXNHUSHDXAVFHJ-MRVPVSSYSA-N
MW232.29 g/mol
LogP1.76
Rot. Bonds1

About (5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

(5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 166939117) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID166939117
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1c(-c2cnn(C)c2)nn2c1O[C@H](C)CC2
InChIInChI=1S/C12H16N4O/c1-8-4-5-16-12(17-8)9(2)11(14-16)10-6-13-15(3)7-10/h6-8H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyUXNHUSHDXAVFHJ-MRVPVSSYSA-N
XLogP1.76
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (5R)-5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 166939914
ethyl (5S)-2-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 166939989
(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
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
ethyl (5R)-2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 169034057
ethyl (5S)-5-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 169034069
(5S)-5-methyl-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 169034116
(5R)-5-methyl-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 169034130
3-(1-Ethylpyrazol-4-yl)-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine
CID 71037284
(5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166939121

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 166939117) is (5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1c(-c2cnn(C)c2)nn2c1O[C@H](C)CC2.
What is the InChIKey of (5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is UXNHUSHDXAVFHJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-4-5-16-12(17-8)9(2)11(14-16)10-6-13-15(3)7-10/h6-8H,4-5H2,1-3H3/t8-/m1/s1.
What are the key properties of (5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 232.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 166939117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).