3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole

C16H15FN2 — CID 142958197

IUPAC3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole
SMILESCC1=c2c(-c3ccc(F)c(C)c3)n[nH]c2=CCC=C1
InChIInChI=1S/C16H15FN2/c1-10-5-3-4-6-14-15(10)16(19-18-14)12-7-8-13(17)11(2)9-12/h3,5-9,18H,4H2,1-2H3
InChIKeyRHUBBFFOXCWPQS-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.44
Rot. Bonds1

About 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole

3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole (PubChem CID 142958197) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole
PubChem CID142958197
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole
SMILESCC1=c2c(-c3ccc(F)c(C)c3)n[nH]c2=CCC=C1
InChIInChI=1S/C16H15FN2/c1-10-5-3-4-6-14-15(10)16(19-18-14)12-7-8-13(17)11(2)9-12/h3,5-9,18H,4H2,1-2H3
InChIKeyRHUBBFFOXCWPQS-UHFFFAOYSA-N
XLogP2.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]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

(4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole
CID 71190810
4-(4-Fluorophenyl)-3-methyl-1,5-dihydrocyclohepta[c]pyrazole
CID 91159501
4-(1-Cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole
CID 91468261
4-[4-(4-fluorophenyl)butyl]-3,7-dimethyl-5,6-dihydro-1H-cycloocta[c]pyrazole
CID 91566482
3-(4-fluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine
CID 118668764
(4R)-3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine
CID 118668782
3-(3,4-difluorophenyl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine
CID 118668785
4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine
CID 126515684
(E,1E)-1-[3-(3-fluorophenyl)-5-methylidene-1H-pyrazol-4-ylidene]but-2-en-2-amine
CID 143488386
3-(4-fluorophenyl)-5,6-dihydro-1H-pyrazolo[4,3-b]pyridine
CID 147060021
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethylideneamino]ethenamine
CID 1551773
(5E)-3-(3,5-difluorophenyl)-5-(3-methylbut-2-enylidene)-1,4-dihydropyrazole
CID 142958046

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole (CID 142958197) is 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole is CC1=c2c(-c3ccc(F)c(C)c3)n[nH]c2=CCC=C1.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole?
The InChIKey is RHUBBFFOXCWPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-10-5-3-4-6-14-15(10)16(19-18-14)12-7-8-13(17)11(2)9-12/h3,5-9,18H,4H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole?
3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole has a molecular weight of 254.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-4-methyl-1,7-dihydrocyclohepta[c]pyrazole is sourced from PubChem (CID 142958197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).