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

C5H5F3N2 — CID 2795925

IUPAC4-methyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H5F3N2/c1-3-2-9-10-4(3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyFHYYBIMGFACFHS-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.74
Rot. Bonds

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

4-methyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 2795925) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID2795925
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name4-methyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H5F3N2/c1-3-2-9-10-4(3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyFHYYBIMGFACFHS-UHFFFAOYSA-N
XLogP1.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-methyl-5-(trifluoromethyl)-1H-pyrazole (CID 2795925) is 4-methyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)-1H-pyrazole is Cc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is FHYYBIMGFACFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c1-3-2-9-10-4(3)5(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of 4-methyl-5-(trifluoromethyl)-1H-pyrazole?
4-methyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 150.10 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 2795925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).