3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole

C23H24F2N2 — CID 141288586

IUPAC3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole
SMILESFc1ccc(-c2cc(CCC3CCC(c4ccccc4)CC3)[nH]n2)c(F)c1
InChIInChI=1S/C23H24F2N2/c24-19-11-13-21(22(25)14-19)23-15-20(26-27-23)12-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-5,11,13-16,18H,6-10,12H2,(H,26,27)
InChIKeyDFXQBYXKPRMDJU-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.26
Rot. Bonds5

About 3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole

3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole (PubChem CID 141288586) has the molecular formula C23H24F2N2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole
PubChem CID141288586
Molecular FormulaC23H24F2N2
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole
SMILESFc1ccc(-c2cc(CCC3CCC(c4ccccc4)CC3)[nH]n2)c(F)c1
InChIInChI=1S/C23H24F2N2/c24-19-11-13-21(22(25)14-19)23-15-20(26-27-23)12-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-5,11,13-16,18H,6-10,12H2,(H,26,27)
InChIKeyDFXQBYXKPRMDJU-UHFFFAOYSA-N
XLogP6.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-benzhydryl-1H-pyrazole
CID 2806015
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
5-benzyl-3-tert-butyl-1H-pyrazole
CID 691260
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
Celecoxib N-des(benzenesulfonamide)
CID 4166967
3-Benzyl-5-phenyl-1H-pyrazole
CID 283965
3-Phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 611322
2-(3-Phenyl-1H-pyrazol-5-YL)aniline
CID 54852070

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole?
The IUPAC name of 3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole (CID 141288586) is 3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole is Fc1ccc(-c2cc(CCC3CCC(c4ccccc4)CC3)[nH]n2)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole?
The InChIKey is DFXQBYXKPRMDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2/c24-19-11-13-21(22(25)14-19)23-15-20(26-27-23)12-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-5,11,13-16,18H,6-10,12H2,(H,26,27).
What are the key properties of 3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole?
3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole has a molecular weight of 366.46 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-[2-(4-phenylcyclohexyl)ethyl]-1H-pyrazole is sourced from PubChem (CID 141288586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).