1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride

C12H17ClF3N5 — CID 126965103

IUPAC1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
SMILESCCn1cc(CNCc2cn(C)nc2C(F)(F)F)cn1.Cl
InChIInChI=1S/C12H16F3N5.ClH/c1-3-20-7-9(5-17-20)4-16-6-10-8-19(2)18-11(10)12(13,14)15;/h5,7-8,16H,3-4,6H2,1-2H3;1H
InChIKeyRQPILFGYPMMFFL-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.37
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride

1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride (PubChem CID 126965103) has the molecular formula C12H17ClF3N5 and a molecular weight of 323.75 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
PubChem CID126965103
Molecular FormulaC12H17ClF3N5
Molecular Weight323.75 g/mol
Exact Mass323.11
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
SMILESCCn1cc(CNCc2cn(C)nc2C(F)(F)F)cn1.Cl
InChIInChI=1S/C12H16F3N5.ClH/c1-3-20-7-9(5-17-20)4-16-6-10-8-19(2)18-11(10)12(13,14)15;/h5,7-8,16H,3-4,6H2,1-2H3;1H
InChIKeyRQPILFGYPMMFFL-UHFFFAOYSA-N
XLogP2.37
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride with MolForge

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 122167904
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 19625453
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 135215875
1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967554
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122167162
N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 19625478
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126965188
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122166655
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966967
1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82721399

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride (CID 126965103) is 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride is CCn1cc(CNCc2cn(C)nc2C(F)(F)F)cn1.Cl.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride?
The InChIKey is RQPILFGYPMMFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5.ClH/c1-3-20-7-9(5-17-20)4-16-6-10-8-19(2)18-11(10)12(13,14)15;/h5,7-8,16H,3-4,6H2,1-2H3;1H.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride?
1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride has a molecular weight of 323.75 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 126965103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).