3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole

C9H6F6N4 — CID 90911625

IUPAC3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)Cc1c(-n2cccn2)n[nH]c1C(F)(F)F
InChIInChI=1S/C9H6F6N4/c10-8(11,12)4-5-6(9(13,14)15)17-18-7(5)19-3-1-2-16-19/h1-3H,4H2,(H,17,18)
InChIKeyOOLDBIDVXWCUSQ-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.72
Rot. Bonds2

About 3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole

3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 90911625) has the molecular formula C9H6F6N4 and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID90911625
Molecular FormulaC9H6F6N4
Molecular Weight284.16 g/mol
Exact Mass284.05
IUPAC Name3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)Cc1c(-n2cccn2)n[nH]c1C(F)(F)F
InChIInChI=1S/C9H6F6N4/c10-8(11,12)4-5-6(9(13,14)15)17-18-7(5)19-3-1-2-16-19/h1-3H,4H2,(H,17,18)
InChIKeyOOLDBIDVXWCUSQ-UHFFFAOYSA-N
XLogP2.72
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-5-yl)-3,5-bis(trifluoromethyl)pyrazole
CID 53631610
3-pyrazol-1-yl-5-(trifluoromethyl)-1H-pyrazole
CID 57596563
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-5-pyrazol-1-yl-4-(trifluoromethyl)pyrazole
CID 88314089
[1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanamine
CID 89147296
4-fluoro-5-methyl-3-pyrazol-1-yl-1H-pyrazole
CID 117670226
5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole
CID 141409287
5-Pyrazol-1-yl-1,3-bis(trifluoromethyl)pyrazole
CID 169749626
4-Methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789525
Ethane;4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789586
5-Methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazole
CID 174731521
3,5-dimethyl-1-(1H-pyrazol-5-yl)pyrazole
CID 12560595
2-[1,3-Dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]ethanamine
CID 55239315

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole (CID 90911625) is 3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)Cc1c(-n2cccn2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is OOLDBIDVXWCUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N4/c10-8(11,12)4-5-6(9(13,14)15)17-18-7(5)19-3-1-2-16-19/h1-3H,4H2,(H,17,18).
What are the key properties of 3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole?
3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 284.16 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-4-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 90911625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).