1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole

C20H21FN2 — CID 161390524

IUPAC1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole
SMILESCc1ccc(CCc2ccc(-n3nc(C)cc3C)cc2)c(F)c1
InChIInChI=1S/C20H21FN2/c1-14-4-8-18(20(21)12-14)9-5-17-6-10-19(11-7-17)23-16(3)13-15(2)22-23/h4,6-8,10-13H,5,9H2,1-3H3
InChIKeyWIPDVCQNCGJTMR-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.72
Rot. Bonds4

About 1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole

1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole (PubChem CID 161390524) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole
PubChem CID161390524
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole
SMILESCc1ccc(CCc2ccc(-n3nc(C)cc3C)cc2)c(F)c1
InChIInChI=1S/C20H21FN2/c1-14-4-8-18(20(21)12-14)9-5-17-6-10-19(11-7-17)23-16(3)13-15(2)22-23/h4,6-8,10-13H,5,9H2,1-3H3
InChIKeyWIPDVCQNCGJTMR-UHFFFAOYSA-N
XLogP4.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-azidoethyl)phenyl]-3,5-dimethylpyrazole
CID 22244617
3,5-dimethyl-1-[4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]pyrazole
CID 112819165
2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile
CID 4962802
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 55906754
1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole
CID 55604203
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide
CID 47071864
2-fluoro-1-[2-[4-(4-isothiocyanatophenyl)phenyl]ethyl]-4-methylbenzene
CID 163576043
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
CID 177419478
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
(E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide
CID 50847234
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole
CID 8003571

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole (CID 161390524) is 1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole is Cc1ccc(CCc2ccc(-n3nc(C)cc3C)cc2)c(F)c1.
What is the InChIKey of 1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole?
The InChIKey is WIPDVCQNCGJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2/c1-14-4-8-18(20(21)12-14)9-5-17-6-10-19(11-7-17)23-16(3)13-15(2)22-23/h4,6-8,10-13H,5,9H2,1-3H3.
What are the key properties of 1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole?
1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole has a molecular weight of 308.40 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 161390524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).