3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole

C5H7F3N2 — CID 129294118

IUPAC3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole
SMILESCC1C=C(C(F)(F)F)NN1
InChIInChI=1S/C5H7F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2-3,9-10H,1H3
InChIKeyCYCINCAKHMIXBT-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.93
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole

3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole (PubChem CID 129294118) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole
PubChem CID129294118
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole
SMILESCC1C=C(C(F)(F)F)NN1
InChIInChI=1S/C5H7F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2-3,9-10H,1H3
InChIKeyCYCINCAKHMIXBT-UHFFFAOYSA-N
XLogP0.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole (CID 129294118) is 3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole is CC1C=C(C(F)(F)F)NN1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole?
The InChIKey is CYCINCAKHMIXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2-3,9-10H,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole?
3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole has a molecular weight of 152.12 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 129294118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).