ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole

C7H11F3N2 — CID 143374034

IUPACethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCC.Cc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H5F3N2.C2H6/c1-3-2-9-10-4(3)5(6,7)8;1-2/h2H,1H3,(H,9,10);1-2H3
InChIKeySOFMYIGYPMVYJH-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.76
Rot. Bonds

About ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole

ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 143374034) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Nameethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID143374034
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Nameethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCC.Cc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H5F3N2.C2H6/c1-3-2-9-10-4(3)5(6,7)8;1-2/h2H,1H3,(H,9,10);1-2H3
InChIKeySOFMYIGYPMVYJH-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole (CID 143374034) is ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole is CC.Cc1cn[nH]c1C(F)(F)F.
What is the InChIKey of ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is SOFMYIGYPMVYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2.C2H6/c1-3-2-9-10-4(3)5(6,7)8;1-2/h2H,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole?
ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 180.17 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 143374034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).