5-methoxy-4-(trifluoromethyl)-1H-pyrazole

C5H5F3N2O — CID 90713520

IUPAC5-methoxy-4-(trifluoromethyl)-1H-pyrazole
SMILESCOc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c1-11-4-3(2-9-10-4)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyLJPDYGKRCIBKNJ-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.44
Rot. Bonds1

About 5-methoxy-4-(trifluoromethyl)-1H-pyrazole

5-methoxy-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 90713520) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 5-methoxy-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methoxy-4-(trifluoromethyl)-1H-pyrazole
PubChem CID90713520
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name5-methoxy-4-(trifluoromethyl)-1H-pyrazole
SMILESCOc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c1-11-4-3(2-9-10-4)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyLJPDYGKRCIBKNJ-UHFFFAOYSA-N
XLogP1.44
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-methyl-1H-pyrazole
CID 17852315
4-iodo-3-methoxy-1H-pyrazole
CID 67004784
4-bromo-5-methoxy-1H-pyrazole
CID 67388385
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1H-pyrazole-4-carbonitrile
CID 176438221
3-(Difluoromethoxy)-1H-pyrazole
CID 53694029
[5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol
CID 54298978
5-(fluoromethoxy)-1H-pyrazole
CID 68298048
4-chloro-5-(difluoromethoxy)-1H-pyrazole
CID 70340772
5-(trifluoromethoxy)-1H-pyrazole
CID 76545932
5-(difluoromethoxy)-1H-pyrazole-4-carbothialdehyde
CID 87821878
[5-(difluoromethoxy)-1H-pyrazol-4-yl]methanethiol
CID 87821879
4-(chloromethyl)-5-(difluoromethoxy)-1H-pyrazole
CID 90720157

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-methoxy-4-(trifluoromethyl)-1H-pyrazole (CID 90713520) is 5-methoxy-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-methoxy-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-methoxy-4-(trifluoromethyl)-1H-pyrazole is COc1[nH]ncc1C(F)(F)F.
What is the InChIKey of 5-methoxy-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is LJPDYGKRCIBKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c1-11-4-3(2-9-10-4)5(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of 5-methoxy-4-(trifluoromethyl)-1H-pyrazole?
5-methoxy-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 166.10 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 90713520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).