4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane

C12H16N4O — CID 134160498

IUPAC4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane
SMILESCc1cc(N2CCCOCC2)n2nccc2n1
InChIInChI=1S/C12H16N4O/c1-10-9-12(15-5-2-7-17-8-6-15)16-11(14-10)3-4-13-16/h3-4,9H,2,5-8H2,1H3
InChIKeyOMJUKBTXOYLCBM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.26
Rot. Bonds1

About 4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane

4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane (PubChem CID 134160498) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane
PubChem CID134160498
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane
SMILESCc1cc(N2CCCOCC2)n2nccc2n1
InChIInChI=1S/C12H16N4O/c1-10-9-12(15-5-2-7-17-8-6-15)16-11(14-10)3-4-13-16/h3-4,9H,2,5-8H2,1H3
InChIKeyOMJUKBTXOYLCBM-UHFFFAOYSA-N
XLogP1.26
TPSA42.66 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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane?
The IUPAC name of 4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane (CID 134160498) is 4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane.
What is the SMILES notation for 4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane?
The canonical SMILES for 4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane is Cc1cc(N2CCCOCC2)n2nccc2n1.
What is the InChIKey of 4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane?
The InChIKey is OMJUKBTXOYLCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-10-9-12(15-5-2-7-17-8-6-15)16-11(14-10)3-4-13-16/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane?
4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane has a molecular weight of 232.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-oxazepane is sourced from PubChem (CID 134160498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).