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

C11H14N4O — CID 166939121

IUPAC(5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1c(-c2cn[nH]c2)nn2c1O[C@H](C)CC2
InChIInChI=1S/C11H14N4O/c1-7-3-4-15-11(16-7)8(2)10(14-15)9-5-12-13-6-9/h5-7H,3-4H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyKZNLEABSACCJRG-SSDOTTSWSA-N
MW218.26 g/mol
LogP1.75
Rot. Bonds1

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

(5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 166939121) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID166939121
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1c(-c2cn[nH]c2)nn2c1O[C@H](C)CC2
InChIInChI=1S/C11H14N4O/c1-7-3-4-15-11(16-7)8(2)10(14-15)9-5-12-13-6-9/h5-7H,3-4H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyKZNLEABSACCJRG-SSDOTTSWSA-N
XLogP1.75
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 166939121) is (5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1c(-c2cn[nH]c2)nn2c1O[C@H](C)CC2.
What is the InChIKey of (5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is KZNLEABSACCJRG-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-3-4-15-11(16-7)8(2)10(14-15)9-5-12-13-6-9/h5-7H,3-4H2,1-2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 218.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dimethyl-2-(1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 166939121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).