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

C6H7F3N2 — CID 58514740

IUPAC4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(C(F)(F)F)c1C
InChIInChI=1S/C6H7F3N2/c1-3-4(2)10-11-5(3)6(7,8)9/h1-2H3,(H,10,11)
InChIKeyRDWQURJGAWKZCW-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.05
Rot. Bonds

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

4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 58514740) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID58514740
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(C(F)(F)F)c1C
InChIInChI=1S/C6H7F3N2/c1-3-4(2)10-11-5(3)6(7,8)9/h1-2H3,(H,10,11)
InChIKeyRDWQURJGAWKZCW-UHFFFAOYSA-N
XLogP2.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole (CID 58514740) is 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole is Cc1[nH]nc(C(F)(F)F)c1C.
What is the InChIKey of 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is RDWQURJGAWKZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-3-4(2)10-11-5(3)6(7,8)9/h1-2H3,(H,10,11).
What are the key properties of 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole?
4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 164.13 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 58514740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).