4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole

C24H28F2N2 — CID 91468261

IUPAC4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole
SMILESCCc1cc(-c2n[nH]c3c2=C(C(C)C2CCCCC2)CC=CC=3)cc(F)c1F
InChIInChI=1S/C24H28F2N2/c1-3-16-13-18(14-20(25)23(16)26)24-22-19(11-7-8-12-21(22)27-28-24)15(2)17-9-5-4-6-10-17/h7-8,12-15,17,27H,3-6,9-11H2,1-2H3
InChIKeyRBJDMYBMDHVHBA-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.02
Rot. Bonds4

About 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole

4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole (PubChem CID 91468261) has the molecular formula C24H28F2N2 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole.

Molecular Properties

Compound Name4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole
PubChem CID91468261
Molecular FormulaC24H28F2N2
Molecular Weight382.50 g/mol
Exact Mass382.22
IUPAC Name4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole
SMILESCCc1cc(-c2n[nH]c3c2=C(C(C)C2CCCCC2)CC=CC=3)cc(F)c1F
InChIInChI=1S/C24H28F2N2/c1-3-16-13-18(14-20(25)23(16)26)24-22-19(11-7-8-12-21(22)27-28-24)15(2)17-9-5-4-6-10-17/h7-8,12-15,17,27H,3-6,9-11H2,1-2H3
InChIKeyRBJDMYBMDHVHBA-UHFFFAOYSA-N
XLogP5.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole with MolForge

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Related Compounds

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CID 58375459
11,12-Bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13)-diene
CID 58375489
(4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole
CID 71190810
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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole?
The IUPAC name of 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole (CID 91468261) is 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole.
What is the SMILES notation for 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole?
The canonical SMILES for 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole is CCc1cc(-c2n[nH]c3c2=C(C(C)C2CCCCC2)CC=CC=3)cc(F)c1F.
What is the InChIKey of 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole?
The InChIKey is RBJDMYBMDHVHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2/c1-3-16-13-18(14-20(25)23(16)26)24-22-19(11-7-8-12-21(22)27-28-24)15(2)17-9-5-4-6-10-17/h7-8,12-15,17,27H,3-6,9-11H2,1-2H3.
What are the key properties of 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole?
4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole has a molecular weight of 382.50 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylethyl)-3-(3-ethyl-4,5-difluorophenyl)-1,5-dihydrocyclohepta[c]pyrazole is sourced from PubChem (CID 91468261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).