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

C6H7F3N2 — CID 20719699

IUPAC3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole
SMILESCc1n[nH]c(C)c1C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)4(2)11-10-3/h1-2H3,(H,10,11)
InChIKeyVSDPKAAHKPEFDG-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.05
Rot. Bonds

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

3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 20719699) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole
PubChem CID20719699
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole
SMILESCc1n[nH]c(C)c1C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)4(2)11-10-3/h1-2H3,(H,10,11)
InChIKeyVSDPKAAHKPEFDG-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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Related Compounds

3,5-Dimethyl-4-iodo-1H-pyrazole
CID 97115
1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CID 139077
3,4,5-Trimethylpyrazole
CID 138528
4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole
CID 572879
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 650797
3-Methyl-5-(trifluoromethyl)-1H-pyrazol-4-amine
CID 17024655
3,5-Dimethyl-4-ethylpyrazole
CID 572877
4-Fluoro-3,5-dimethyl-1H-pyrazole
CID 19382744
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CID 572718
3,5-Diethyl-4-methylpyrazole
CID 139517
3,4,5-Tris(trifluoromethyl)-1H-pyrazole
CID 13245508
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride
CID 17368230

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole (CID 20719699) is 3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole is Cc1n[nH]c(C)c1C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is VSDPKAAHKPEFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)4(2)11-10-3/h1-2H3,(H,10,11).
What are the key properties of 3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole?
3,5-dimethyl-4-(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 3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 20719699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).