[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride

C11H12ClF3N4 — CID 146194795

IUPAC[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cnn(Cc2cccnc2C(F)(F)F)c1
InChIInChI=1S/C11H11F3N4.ClH/c12-11(13,14)10-9(2-1-3-16-10)7-18-6-8(4-15)5-17-18;/h1-3,5-6H,4,7,15H2;1H
InChIKeyCACMRRMGUGKZOG-UHFFFAOYSA-N
MW292.69 g/mol
LogP2.23
Rot. Bonds3

About [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride

[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 146194795) has the molecular formula C11H12ClF3N4 and a molecular weight of 292.69 g/mol. Its IUPAC name is [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
PubChem CID146194795
Molecular FormulaC11H12ClF3N4
Molecular Weight292.69 g/mol
Exact Mass292.07
IUPAC Name[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cnn(Cc2cccnc2C(F)(F)F)c1
InChIInChI=1S/C11H11F3N4.ClH/c12-11(13,14)10-9(2-1-3-16-10)7-18-6-8(4-15)5-17-18;/h1-3,5-6H,4,7,15H2;1H
InChIKeyCACMRRMGUGKZOG-UHFFFAOYSA-N
XLogP2.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride (CID 146194795) is [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride is Cl.NCc1cnn(Cc2cccnc2C(F)(F)F)c1.
What is the InChIKey of [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is CACMRRMGUGKZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4.ClH/c12-11(13,14)10-9(2-1-3-16-10)7-18-6-8(4-15)5-17-18;/h1-3,5-6H,4,7,15H2;1H.
What are the key properties of [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 292.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 146194795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).