(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

C15H21FN4O — CID 166940010

IUPAC(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
SMILESCC(C)c1c(-c2cnn(C(C)F)c2)nn2c1O[C@H](C)CC2
InChIInChI=1S/C15H21FN4O/c1-9(2)13-14(12-7-17-20(8-12)11(4)16)18-19-6-5-10(3)21-15(13)19/h7-11H,5-6H2,1-4H3/t10-,11?/m1/s1
InChIKeyKVBBEJWBDVLHDG-NFJWQWPMSA-N
MW292.36 g/mol
LogP3.53
Rot. Bonds3

About (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

(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 (PubChem CID 166940010) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166940010
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name(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
SMILESCC(C)c1c(-c2cnn(C(C)F)c2)nn2c1O[C@H](C)CC2
InChIInChI=1S/C15H21FN4O/c1-9(2)13-14(12-7-17-20(8-12)11(4)16)18-19-6-5-10(3)21-15(13)19/h7-11H,5-6H2,1-4H3/t10-,11?/m1/s1
InChIKeyKVBBEJWBDVLHDG-NFJWQWPMSA-N
XLogP3.53
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)c1c(-c2cnn(C(C)F)c2)nn2c1O[C@H](C)CC2.
What is the InChIKey of (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?
The InChIKey is KVBBEJWBDVLHDG-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-9(2)13-14(12-7-17-20(8-12)11(4)16)18-19-6-5-10(3)21-15(13)19/h7-11H,5-6H2,1-4H3/t10-,11?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 292.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166940010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).