4-methyl-1-(2,2,2-trifluoroethyl)pyrazole

C6H7F3N2 — CID 58206225

IUPAC4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C6H7F3N2/c1-5-2-10-11(3-5)4-6(7,8)9/h2-3H,4H2,1H3
InChIKeyCTYIVIRELNXMMO-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.75
Rot. Bonds1

About 4-methyl-1-(2,2,2-trifluoroethyl)pyrazole

4-methyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 58206225) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID58206225
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C6H7F3N2/c1-5-2-10-11(3-5)4-6(7,8)9/h2-3H,4H2,1H3
InChIKeyCTYIVIRELNXMMO-UHFFFAOYSA-N
XLogP1.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1,4-Dimethylpyrazole
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1-Methyl-4-iodo-1H-pyrazole
CID 2734773
4-Bromo-1-ethyl-1H-pyrazole
CID 12565201
4-Ethynyl-1-methyl-1H-pyrazole
CID 51138321
(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
1-(difluoromethyl)-1H-pyrazole
CID 5253348
1-methyl-1H-pyrazole-4-carbonitrile
CID 12747521
3-bromo-1,4-dimethyl-1H-pyrazole
CID 21766261
1-ethyl-4-ethynyl-1H-pyrazole
CID 22042601
3-Iodo-1,4-dimethyl-1H-pyrazole
CID 57883344

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 58206225) is 4-methyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethyl)pyrazole is Cc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is CTYIVIRELNXMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-5-2-10-11(3-5)4-6(7,8)9/h2-3H,4H2,1H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
4-methyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 164.13 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 58206225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).