4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole

C16H15F3N4 — CID 118864296

IUPAC4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole
SMILESCCc1cc(Cn2cc(-c3ccc(F)c(C(F)F)c3)cn2)[nH]n1
InChIInChI=1S/C16H15F3N4/c1-2-12-6-13(22-21-12)9-23-8-11(7-20-23)10-3-4-15(17)14(5-10)16(18)19/h3-8,16H,2,9H2,1H3,(H,21,22)
InChIKeyIDFCRAJKFUCDED-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.96
Rot. Bonds5

About 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole

4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole (PubChem CID 118864296) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole
PubChem CID118864296
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole
SMILESCCc1cc(Cn2cc(-c3ccc(F)c(C(F)F)c3)cn2)[nH]n1
InChIInChI=1S/C16H15F3N4/c1-2-12-6-13(22-21-12)9-23-8-11(7-20-23)10-3-4-15(17)14(5-10)16(18)19/h3-8,16H,2,9H2,1H3,(H,21,22)
InChIKeyIDFCRAJKFUCDED-UHFFFAOYSA-N
XLogP3.96
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
CID 7147386
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135632208
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9925372

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole?
The IUPAC name of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole (CID 118864296) is 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole.
What is the SMILES notation for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole?
The canonical SMILES for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole is CCc1cc(Cn2cc(-c3ccc(F)c(C(F)F)c3)cn2)[nH]n1.
What is the InChIKey of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole?
The InChIKey is IDFCRAJKFUCDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c1-2-12-6-13(22-21-12)9-23-8-11(7-20-23)10-3-4-15(17)14(5-10)16(18)19/h3-8,16H,2,9H2,1H3,(H,21,22).
What are the key properties of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole?
4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole has a molecular weight of 320.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]pyrazole is sourced from PubChem (CID 118864296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).