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

C5H4F4N2 — CID 130330494

IUPAC3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(F)c1C(F)(F)F
InChIInChI=1S/C5H4F4N2/c1-2-3(5(7,8)9)4(6)11-10-2/h1H3,(H,10,11)
InChIKeyDMSOUOYMGGFXEX-UHFFFAOYSA-N
MW168.09 g/mol
LogP1.88
Rot. Bonds

About 3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole

3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 130330494) has the molecular formula C5H4F4N2 and a molecular weight of 168.09 g/mol. Its IUPAC name is 3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole
PubChem CID130330494
Molecular FormulaC5H4F4N2
Molecular Weight168.09 g/mol
Exact Mass168.03
IUPAC Name3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(F)c1C(F)(F)F
InChIInChI=1S/C5H4F4N2/c1-2-3(5(7,8)9)4(6)11-10-2/h1H3,(H,10,11)
InChIKeyDMSOUOYMGGFXEX-UHFFFAOYSA-N
XLogP1.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 11480632
5-iodo-3,4-dimethyl-1H-pyrazole
CID 22088055
5-bromo-3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125448910
potassium trifluoro(3-methyl-4-(trifluoromethyl)-1H-pyrazol-5-yl)boranuide
CID 137833687
3,4-difluoro-5-methyl-1H-pyrazole
CID 14849321
3-fluoro-4,5-dimethyl-1H-pyrazole
CID 14849324
4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 18735151
3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole
CID 20719699
4-fluoro-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 57840650
4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole
CID 58514740
3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 66023217
[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]boronic acid
CID 66780222

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole (CID 130330494) is 3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole is Cc1[nH]nc(F)c1C(F)(F)F.
What is the InChIKey of 3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is DMSOUOYMGGFXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N2/c1-2-3(5(7,8)9)4(6)11-10-2/h1H3,(H,10,11).
What are the key properties of 3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole?
3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 168.09 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 130330494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).