3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole

C15H17FN2 — CID 86179703

IUPAC3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
SMILESFc1ccc(-c2n[nH]c3c2CCCCCC3)cc1
InChIInChI=1S/C15H17FN2/c16-12-9-7-11(8-10-12)15-13-5-3-1-2-4-6-14(13)17-18-15/h7-10H,1-6H2,(H,17,18)
InChIKeyHGFAIMDPKLZDSJ-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.87
Rot. Bonds1

About 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole

3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole (PubChem CID 86179703) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
PubChem CID86179703
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole
SMILESFc1ccc(-c2n[nH]c3c2CCCCCC3)cc1
InChIInChI=1S/C15H17FN2/c16-12-9-7-11(8-10-12)15-13-5-3-1-2-4-6-14(13)17-18-15/h7-10H,1-6H2,(H,17,18)
InChIKeyHGFAIMDPKLZDSJ-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3-Amino-5-phenylpyrazole
CID 136655
3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 16671966
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
4-bromo-3-methyl-5-phenyl-1H-pyrazole
CID 744335
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
5-benzyl-3-tert-butyl-1H-pyrazole
CID 691260

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole (CID 86179703) is 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole is Fc1ccc(-c2n[nH]c3c2CCCCCC3)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
The InChIKey is HGFAIMDPKLZDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c16-12-9-7-11(8-10-12)15-13-5-3-1-2-4-6-14(13)17-18-15/h7-10H,1-6H2,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole?
3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole has a molecular weight of 244.31 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole is sourced from PubChem (CID 86179703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).