formaldehyde;5-(trifluoromethyl)-1H-pyrazole

C5H5F3N2O — CID 174949795

IUPACformaldehyde;5-(trifluoromethyl)-1H-pyrazole
SMILESC=O.FC(F)(F)c1ccn[nH]1
InChIInChI=1S/C4H3F3N2.CH2O/c5-4(6,7)3-1-2-8-9-3;1-2/h1-2H,(H,8,9);1H2
InChIKeyASYUWWIFEOJVPQ-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.24
Rot. Bonds

About formaldehyde;5-(trifluoromethyl)-1H-pyrazole

formaldehyde;5-(trifluoromethyl)-1H-pyrazole (PubChem CID 174949795) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is formaldehyde;5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Nameformaldehyde;5-(trifluoromethyl)-1H-pyrazole
PubChem CID174949795
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Nameformaldehyde;5-(trifluoromethyl)-1H-pyrazole
SMILESC=O.FC(F)(F)c1ccn[nH]1
InChIInChI=1S/C4H3F3N2.CH2O/c5-4(6,7)3-1-2-8-9-3;1-2/h1-2H,(H,8,9);1H2
InChIKeyASYUWWIFEOJVPQ-UHFFFAOYSA-N
XLogP1.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylpyrazole
CID 15073
1-Carbamoyl-3-methylpyrazole
CID 13392
5-ethynyl-1H-pyrazole
CID 54014389
3-(Trifluoromethyl)pyrazole
CID 1807034
3-(difluoromethyl)-1H-pyrazole
CID 23006208
3-(chlorodifluoromethyl)-1H-pyrazole
CID 59403642
1-(1H-Pyrazol-5-yl)methanamine
CID 7147653
3-(Trifluoromethyl)-1H-pyrazol-4-amine
CID 61632466
3-Methyl(1-~2~H)-1H-pyrazole
CID 135052774
3-(bromodifluoromethyl)-1H-pyrazole
CID 125448985
Iodomethyl pyrazole
CID 53801985
3-Methylpyrazolium tetrafluoroborate
CID 129851859

Frequently Asked Questions

What is the IUPAC name of formaldehyde;5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of formaldehyde;5-(trifluoromethyl)-1H-pyrazole (CID 174949795) is formaldehyde;5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for formaldehyde;5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for formaldehyde;5-(trifluoromethyl)-1H-pyrazole is C=O.FC(F)(F)c1ccn[nH]1.
What is the InChIKey of formaldehyde;5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ASYUWWIFEOJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2.CH2O/c5-4(6,7)3-1-2-8-9-3;1-2/h1-2H,(H,8,9);1H2.
What are the key properties of formaldehyde;5-(trifluoromethyl)-1H-pyrazole?
formaldehyde;5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 166.10 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 174949795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).