3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine

C18H25N5O — CID 171092637

IUPAC3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cnc2ccnn2c1.CC(C)c1cnn2c1OCCC2
InChIInChI=1S/C9H11N3.C9H14N2O/c1-7(2)8-5-10-9-3-4-11-12(9)6-8;1-7(2)8-6-10-11-4-3-5-12-9(8)11/h3-7H,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyWQIBTXADRMZHBW-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.64
Rot. Bonds2

About 3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine

3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 171092637) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID171092637
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cnc2ccnn2c1.CC(C)c1cnn2c1OCCC2
InChIInChI=1S/C9H11N3.C9H14N2O/c1-7(2)8-5-10-9-3-4-11-12(9)6-8;1-7(2)8-6-10-11-4-3-5-12-9(8)11/h3-7H,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyWQIBTXADRMZHBW-UHFFFAOYSA-N
XLogP3.64
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

WO2023001061, Example 7
CID 166594735
WO2023001061, Example 8
CID 166594736
5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 171798696
5-Ethyl-2-[3-({[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}methyl)pyrrolidin-1-yl]pyrimidine
CID 154580548
7-Methoxy-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 57758531
5-(cyclopropylmethoxy)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68031562
5-[3-(1-Methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
CID 68606784
2-Methyl-5-[3-(1-methylpyrazol-3-yl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
CID 68606978
7-Methoxy-3-(2-methyl-3,4-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 70995786
2-Butoxy-3-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89810640
7-Butoxy-6-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89810642
3-Bromo-7-methoxypyrazolo[1,5-a]pyrimidine;7-methoxy-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 160208479

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 171092637) is 3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cnc2ccnn2c1.CC(C)c1cnn2c1OCCC2.
What is the InChIKey of 3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WQIBTXADRMZHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C9H14N2O/c1-7(2)8-5-10-9-3-4-11-12(9)6-8;1-7(2)8-6-10-11-4-3-5-12-9(8)11/h3-7H,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 327.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171092637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).