4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole

C6H9F3N2 — CID 138509494

IUPAC4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SMILESCC1NN=C(C(F)(F)F)C1C
InChIInChI=1S/C6H9F3N2/c1-3-4(2)10-11-5(3)6(7,8)9/h3-4,10H,1-2H3
InChIKeyAQOSCZCKBVIKPW-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.53
Rot. Bonds

About 4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole

4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole (PubChem CID 138509494) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
PubChem CID138509494
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SMILESCC1NN=C(C(F)(F)F)C1C
InChIInChI=1S/C6H9F3N2/c1-3-4(2)10-11-5(3)6(7,8)9/h3-4,10H,1-2H3
InChIKeyAQOSCZCKBVIKPW-UHFFFAOYSA-N
XLogP1.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole (CID 138509494) is 4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole is CC1NN=C(C(F)(F)F)C1C.
What is the InChIKey of 4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is AQOSCZCKBVIKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-3-4(2)10-11-5(3)6(7,8)9/h3-4,10H,1-2H3.
What are the key properties of 4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole?
4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 166.15 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 138509494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).