1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine

C12H11F4N3 — CID 66441478

IUPAC1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C12H11F4N3/c1-17-6-8-7-18-19(11(8)12(14,15)16)10-5-3-2-4-9(10)13/h2-5,7,17H,6H2,1H3
InChIKeyTYCZBWPMSPVBJE-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.75
Rot. Bonds3

About 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine

1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 66441478) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID66441478
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C12H11F4N3/c1-17-6-8-7-18-19(11(8)12(14,15)16)10-5-3-2-4-9(10)13/h2-5,7,17H,6H2,1H3
InChIKeyTYCZBWPMSPVBJE-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 82527578
N-[[1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 66441867
1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66442611
N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440670
1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
CID 83882394
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442082
N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441880
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440778
1-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112824216
1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112846127
4-(chloromethyl)-5-ethyl-1-(2-fluorophenyl)pyrazole
CID 66438366
1-(2-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122133694

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine (CID 66441478) is 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(-c2ccccc2F)c1C(F)(F)F.
What is the InChIKey of 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is TYCZBWPMSPVBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c1-17-6-8-7-18-19(11(8)12(14,15)16)10-5-3-2-4-9(10)13/h2-5,7,17H,6H2,1H3.
What are the key properties of 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine?
1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 273.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66441478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).