1-methyl-3-(trifluoromethyl)pyrazole

C5H5F3N2 — CID 2780404

IUPAC1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3
InChIKeyMQSLINQSJFALSP-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.44
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)pyrazole

1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 2780404) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID2780404
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3
InChIKeyMQSLINQSJFALSP-UHFFFAOYSA-N
XLogP1.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazole (CID 2780404) is 1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrazole is Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is MQSLINQSJFALSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrazole?
1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 150.10 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2780404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).