ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane

C8H15F3N2 — CID 143114363

IUPACethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane
SMILESCC.CC(F)(F)F.Cc1cn[nH]c1
InChIInChI=1S/C4H6N2.C2H3F3.C2H6/c1-4-2-5-6-3-4;1-2(3,4)5;1-2/h2-3H,1H3,(H,5,6);1H3;1-2H3
InChIKeyISMVEESUIHDZBB-UHFFFAOYSA-N
MW196.22 g/mol
LogP3.31
Rot. Bonds

About ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane

ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane (PubChem CID 143114363) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane.

Molecular Properties

Compound Nameethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane
PubChem CID143114363
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Nameethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane
SMILESCC.CC(F)(F)F.Cc1cn[nH]c1
InChIInChI=1S/C4H6N2.C2H3F3.C2H6/c1-4-2-5-6-3-4;1-2(3,4)5;1-2/h2-3H,1H3,(H,5,6);1H3;1-2H3
InChIKeyISMVEESUIHDZBB-UHFFFAOYSA-N
XLogP3.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylpyrazole
CID 3406
4-Methylpyrazole hydrochloride
CID 11957593
4-fluoro-1H-pyrazole
CID 141992
4-Ethynyl-1H-pyrazole
CID 14041597
1H-pyrazol-4-ylmethanamine
CID 23005583
4-(Trifluoromethyl)-1H-pyrazole
CID 12777795
4-Ethyl-1H-pyrazole
CID 12933274
(1H-pyrazol-4-yl)methanamine dihydrochloride
CID 43810558
methyl(1H-pyrazol-4-ylmethyl)amine dihydrochloride
CID 54593142
3-iodo-4-methyl-1H-pyrazole
CID 67184620
4-(difluoromethyl)-1H-pyrazole
CID 67635188
4-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 91351724

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane?
The IUPAC name of ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane (CID 143114363) is ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane.
What is the SMILES notation for ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane?
The canonical SMILES for ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane is CC.CC(F)(F)F.Cc1cn[nH]c1.
What is the InChIKey of ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane?
The InChIKey is ISMVEESUIHDZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H3F3.C2H6/c1-4-2-5-6-3-4;1-2(3,4)5;1-2/h2-3H,1H3,(H,5,6);1H3;1-2H3.
What are the key properties of ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane?
ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane has a molecular weight of 196.22 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane is sourced from PubChem (CID 143114363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).