3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H18N4O2 — CID 50926753

IUPAC3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(C(=O)N3CCCCCC3)c2n1
InChIInChI=1S/C14H18N4O2/c1-10-8-12(19)18-13(16-10)11(9-15-18)14(20)17-6-4-2-3-5-7-17/h8-9,15H,2-7H2,1H3
InChIKeyOSLJJWUMWLCOGT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.35
Rot. Bonds1

About 3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 50926753) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID50926753
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(C(=O)N3CCCCCC3)c2n1
InChIInChI=1S/C14H18N4O2/c1-10-8-12(19)18-13(16-10)11(9-15-18)14(20)17-6-4-2-3-5-7-17/h8-9,15H,2-7H2,1H3
InChIKeyOSLJJWUMWLCOGT-UHFFFAOYSA-N
XLogP1.35
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 50926753) is 3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]cc(C(=O)N3CCCCCC3)c2n1.
What is the InChIKey of 3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OSLJJWUMWLCOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-8-12(19)18-13(16-10)11(9-15-18)14(20)17-6-4-2-3-5-7-17/h8-9,15H,2-7H2,1H3.
What are the key properties of 3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 274.32 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 50926753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).