1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole

C7H7F5N2O — CID 141420728

IUPAC1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole
SMILESCc1cnn(CC(F)F)c1OC(F)(F)F
InChIInChI=1S/C7H7F5N2O/c1-4-2-13-14(3-5(8)9)6(4)15-7(10,11)12/h2,5H,3H2,1H3
InChIKeyJOMLEROTMBOGNZ-UHFFFAOYSA-N
MW230.14 g/mol
LogP2.36
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole

1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole (PubChem CID 141420728) has the molecular formula C7H7F5N2O and a molecular weight of 230.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole
PubChem CID141420728
Molecular FormulaC7H7F5N2O
Molecular Weight230.14 g/mol
Exact Mass230.05
IUPAC Name1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole
SMILESCc1cnn(CC(F)F)c1OC(F)(F)F
InChIInChI=1S/C7H7F5N2O/c1-4-2-13-14(3-5(8)9)6(4)15-7(10,11)12/h2,5H,3H2,1H3
InChIKeyJOMLEROTMBOGNZ-UHFFFAOYSA-N
XLogP2.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-methyl-1H-pyrazole-4-carbonitrile
CID 12100054
(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanamine
CID 82594285
4-iodo-5-methoxy-1-methyl-1H-pyrazole
CID 135235808
3-methoxy-1-methyl-1H-pyrazole-4-carbonitrile
CID 82651116
3-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 19424663
5-(Difluoromethoxy)-4-ethyl-1-methylpyrazole
CID 53720359
3-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 59340904
[1-(1,1,2,2,2-Pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl] hydrogen carbonate
CID 87377974
[4-(Difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate
CID 90465784
5-(Difluoromethoxy)-1-methylpyrazole
CID 90773700
[1-(1,1,2,2,2-Pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl] formate
CID 91071729
5-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 91531384

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole (CID 141420728) is 1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole is Cc1cnn(CC(F)F)c1OC(F)(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole?
The InChIKey is JOMLEROTMBOGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2O/c1-4-2-13-14(3-5(8)9)6(4)15-7(10,11)12/h2,5H,3H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole?
1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole has a molecular weight of 230.14 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole is sourced from PubChem (CID 141420728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).