[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol

C15H17FN2O — CID 14965156

IUPAC[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol
SMILESOCc1c2c(nn1-c1ccc(F)cc1)CCCCC2
InChIInChI=1S/C15H17FN2O/c16-11-6-8-12(9-7-11)18-15(10-19)13-4-2-1-3-5-14(13)17-18/h6-9,19H,1-5,10H2
InChIKeyFEKJGQFKJSTYHQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.77
Rot. Bonds2

About [2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol

[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol (PubChem CID 14965156) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol
PubChem CID14965156
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol
SMILESOCc1c2c(nn1-c1ccc(F)cc1)CCCCC2
InChIInChI=1S/C15H17FN2O/c16-11-6-8-12(9-7-11)18-15(10-19)13-4-2-1-3-5-14(13)17-18/h6-9,19H,1-5,10H2
InChIKeyFEKJGQFKJSTYHQ-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol (CID 14965156) is [2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol is OCc1c2c(nn1-c1ccc(F)cc1)CCCCC2.
What is the InChIKey of [2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol?
The InChIKey is FEKJGQFKJSTYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-11-6-8-12(9-7-11)18-15(10-19)13-4-2-1-3-5-14(13)17-18/h6-9,19H,1-5,10H2.
What are the key properties of [2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol?
[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol has a molecular weight of 260.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl]methanol is sourced from PubChem (CID 14965156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).