4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole

C15H14F2N4 — CID 118864321

IUPAC4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESCC(F)(F)c1cccc(-c2cnn(Cc3ccn[nH]3)c2)c1
InChIInChI=1S/C15H14F2N4/c1-15(16,17)13-4-2-3-11(7-13)12-8-19-21(9-12)10-14-5-6-18-20-14/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYUBYOLBZTMVIAV-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.43
Rot. Bonds4

About 4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole

4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (PubChem CID 118864321) has the molecular formula C15H14F2N4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
PubChem CID118864321
Molecular FormulaC15H14F2N4
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESCC(F)(F)c1cccc(-c2cnn(Cc3ccn[nH]3)c2)c1
InChIInChI=1S/C15H14F2N4/c1-15(16,17)13-4-2-3-11(7-13)12-8-19-21(9-12)10-14-5-6-18-20-14/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYUBYOLBZTMVIAV-UHFFFAOYSA-N
XLogP3.43
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.43
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
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
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
3-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrazole
CID 3544553
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
2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9925372
2-(4-(4-Fluorophenyl)-1H-pyrazol-3-yl)-6-methylpyridine
CID 10083602
2-[4-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-pyridine
CID 10900715

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The IUPAC name of 4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (CID 118864321) is 4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.
What is the SMILES notation for 4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The canonical SMILES for 4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is CC(F)(F)c1cccc(-c2cnn(Cc3ccn[nH]3)c2)c1.
What is the InChIKey of 4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The InChIKey is YUBYOLBZTMVIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4/c1-15(16,17)13-4-2-3-11(7-13)12-8-19-21(9-12)10-14-5-6-18-20-14/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole has a molecular weight of 288.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,1-difluoroethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is sourced from PubChem (CID 118864321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).