1-methyl-3,5-bis(trifluoromethyl)pyrazole

C6H4F6N2 — CID 20798616

IUPAC1-methyl-3,5-bis(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C6H4F6N2/c1-14-4(6(10,11)12)2-3(13-14)5(7,8)9/h2H,1H3
InChIKeyFMDJFVCWPSQBQG-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.46
Rot. Bonds

About 1-methyl-3,5-bis(trifluoromethyl)pyrazole

1-methyl-3,5-bis(trifluoromethyl)pyrazole (PubChem CID 20798616) has the molecular formula C6H4F6N2 and a molecular weight of 218.10 g/mol. Its IUPAC name is 1-methyl-3,5-bis(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3,5-bis(trifluoromethyl)pyrazole
PubChem CID20798616
Molecular FormulaC6H4F6N2
Molecular Weight218.10 g/mol
Exact Mass218.03
IUPAC Name1-methyl-3,5-bis(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C6H4F6N2/c1-14-4(6(10,11)12)2-3(13-14)5(7,8)9/h2H,1H3
InChIKeyFMDJFVCWPSQBQG-UHFFFAOYSA-N
XLogP2.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 96393
1-Allyl-3,5-dimethylpyrazole
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3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,3,5-Trimethylpyrazole
CID 14081
1-Methyl-3-(trifluoroMethyl)pyrazole-5-boronic acid
CID 12056713
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole
CID 7537475
1H-Pyrazole, 5-fluoro-1,3-dimethyl-
CID 66974728
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
1,3-Dimethyl-1H-pyrazole-5-carbonitrile
CID 2736297
1,5-dimethyl-1H-pyrazole-3-carbonitrile
CID 12211891

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3,5-bis(trifluoromethyl)pyrazole (CID 20798616) is 1-methyl-3,5-bis(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3,5-bis(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3,5-bis(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-3,5-bis(trifluoromethyl)pyrazole?
The InChIKey is FMDJFVCWPSQBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N2/c1-14-4(6(10,11)12)2-3(13-14)5(7,8)9/h2H,1H3.
What are the key properties of 1-methyl-3,5-bis(trifluoromethyl)pyrazole?
1-methyl-3,5-bis(trifluoromethyl)pyrazole has a molecular weight of 218.10 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(trifluoromethyl)pyrazole is sourced from PubChem (CID 20798616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).