2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one

C15H24N2O2 — CID 66020485

IUPAC2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCCCCC1O)CCCCC2
InChIInChI=1S/C15H24N2O2/c18-14-10-6-2-5-9-13(14)17-15(19)11-7-3-1-4-8-12(11)16-17/h13-14,16,18H,1-10H2
InChIKeyFVOWYALSRQXUJQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.31
Rot. Bonds1

About 2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one

2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one (PubChem CID 66020485) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
PubChem CID66020485
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCCCCC1O)CCCCC2
InChIInChI=1S/C15H24N2O2/c18-14-10-6-2-5-9-13(14)17-15(19)11-7-3-1-4-8-12(11)16-17/h13-14,16,18H,1-10H2
InChIKeyFVOWYALSRQXUJQ-UHFFFAOYSA-N
XLogP2.31
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one?
The IUPAC name of 2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one (CID 66020485) is 2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one is O=c1c2c([nH]n1C1CCCCCC1O)CCCCC2.
What is the InChIKey of 2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one?
The InChIKey is FVOWYALSRQXUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-14-10-6-2-5-9-13(14)17-15(19)11-7-3-1-4-8-12(11)16-17/h13-14,16,18H,1-10H2.
What are the key properties of 2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one?
2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one has a molecular weight of 264.37 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycycloheptyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one is sourced from PubChem (CID 66020485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).