1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole

C18H21FN4 — CID 56867746

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1Cn1ccnc1C(C)C
InChIInChI=1S/C18H21FN4/c1-12(2)18-20-9-10-22(18)11-17-13(3)21-23(14(17)4)16-7-5-15(19)6-8-16/h5-10,12H,11H2,1-4H3
InChIKeyXVGDIFGTPBJPNV-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole

1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole (PubChem CID 56867746) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole
PubChem CID56867746
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1Cn1ccnc1C(C)C
InChIInChI=1S/C18H21FN4/c1-12(2)18-20-9-10-22(18)11-17-13(3)21-23(14(17)4)16-7-5-15(19)6-8-16/h5-10,12H,11H2,1-4H3
InChIKeyXVGDIFGTPBJPNV-UHFFFAOYSA-N
XLogP4.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Adipiplon
CID 11198924
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237
14-Fluoro-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 11715816
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(4-methyl-1H-imidazol-2-yl)ethanamine
CID 16192409
US10399985, Example 28
CID 118278095
US10399985, Example 14
CID 118278105

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole (CID 56867746) is 1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole is Cc1nn(-c2ccc(F)cc2)c(C)c1Cn1ccnc1C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole?
The InChIKey is XVGDIFGTPBJPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4/c1-12(2)18-20-9-10-22(18)11-17-13(3)21-23(14(17)4)16-7-5-15(19)6-8-16/h5-10,12H,11H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole?
1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole has a molecular weight of 312.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 56867746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).