3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole

C22H15F3N2 — CID 19587106

IUPAC3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3cccc(F)c3)n2)cc1
InChIInChI=1S/C22H15F3N2/c23-18-8-4-16(5-9-18)21-13-22(17-6-10-19(24)11-7-17)27(26-21)14-15-2-1-3-20(25)12-15/h1-13H,14H2
InChIKeyAJLBNYFFEXESFW-UHFFFAOYSA-N
MW364.37 g/mol
LogP5.68
Rot. Bonds4

About 3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole

3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole (PubChem CID 19587106) has the molecular formula C22H15F3N2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole
PubChem CID19587106
Molecular FormulaC22H15F3N2
Molecular Weight364.37 g/mol
Exact Mass364.12
IUPAC Name3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3cccc(F)c3)n2)cc1
InChIInChI=1S/C22H15F3N2/c23-18-8-4-16(5-9-18)21-13-22(17-6-10-19(24)11-7-17)27(26-21)14-15-2-1-3-20(25)12-15/h1-13H,14H2
InChIKeyAJLBNYFFEXESFW-UHFFFAOYSA-N
XLogP5.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3,5-bis(4-fluorophenyl)pyrazole
CID 19587500
1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
CID 59281596
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 7659905
5-(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82211795
6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
CID 94813590
4-[5-(3-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-3-yl]benzoic acid
CID 155988021
5-fluoro-2-[1-[(3-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 118970728
2-[(3-fluorophenyl)methyl]-6-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one
CID 121107255
6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one
CID 24829949
5-chloro-1-[(3-fluorophenyl)methyl]-3-propan-2-ylpyrazole
CID 66014899
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole (CID 19587106) is 3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole is Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3cccc(F)c3)n2)cc1.
What is the InChIKey of 3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole?
The InChIKey is AJLBNYFFEXESFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2/c23-18-8-4-16(5-9-18)21-13-22(17-6-10-19(24)11-7-17)27(26-21)14-15-2-1-3-20(25)12-15/h1-13H,14H2.
What are the key properties of 3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole?
3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole has a molecular weight of 364.37 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 19587106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).