1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol

C15H22N4O — CID 56882881

IUPAC1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
SMILESCCCc1cc(N2CCCC(O)CC2)n2nccc2n1
InChIInChI=1S/C15H22N4O/c1-2-4-12-11-15(19-14(17-12)6-8-16-19)18-9-3-5-13(20)7-10-18/h6,8,11,13,20H,2-5,7,9-10H2,1H3
InChIKeyVAELTZMTDLXDKF-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.03
Rot. Bonds3

About 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol

1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol (PubChem CID 56882881) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol.

Molecular Properties

Compound Name1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
PubChem CID56882881
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
SMILESCCCc1cc(N2CCCC(O)CC2)n2nccc2n1
InChIInChI=1S/C15H22N4O/c1-2-4-12-11-15(19-14(17-12)6-8-16-19)18-9-3-5-13(20)7-10-18/h6,8,11,13,20H,2-5,7,9-10H2,1H3
InChIKeyVAELTZMTDLXDKF-UHFFFAOYSA-N
XLogP2.03
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
The IUPAC name of 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol (CID 56882881) is 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol.
What is the SMILES notation for 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
The canonical SMILES for 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol is CCCc1cc(N2CCCC(O)CC2)n2nccc2n1.
What is the InChIKey of 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
The InChIKey is VAELTZMTDLXDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-4-12-11-15(19-14(17-12)6-8-16-19)18-9-3-5-13(20)7-10-18/h6,8,11,13,20H,2-5,7,9-10H2,1H3.
What are the key properties of 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol?
1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol has a molecular weight of 274.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol is sourced from PubChem (CID 56882881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).