1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride

C15H17ClF3N3 — CID 130203009

IUPAC1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
SMILESCc1ccc(Cn2nc(C(F)(F)F)c3c2CNCC3)cc1.Cl
InChIInChI=1S/C15H16F3N3.ClH/c1-10-2-4-11(5-3-10)9-21-13-8-19-7-6-12(13)14(20-21)15(16,17)18;/h2-5,19H,6-9H2,1H3;1H
InChIKeyZNLHOYJUAOTJRD-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.33
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride

1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride (PubChem CID 130203009) has the molecular formula C15H17ClF3N3 and a molecular weight of 331.77 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
PubChem CID130203009
Molecular FormulaC15H17ClF3N3
Molecular Weight331.77 g/mol
Exact Mass331.11
IUPAC Name1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
SMILESCc1ccc(Cn2nc(C(F)(F)F)c3c2CNCC3)cc1.Cl
InChIInChI=1S/C15H16F3N3.ClH/c1-10-2-4-11(5-3-10)9-21-13-8-19-7-6-12(13)14(20-21)15(16,17)18;/h2-5,19H,6-9H2,1H3;1H
InChIKeyZNLHOYJUAOTJRD-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
2-Isopropyl-3-(4-trifluoromethyl-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11393128
3-(4-fluorophenyl)-5-methyl-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44383830
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-(phenylmethyl)-,hydrochloride
CID 45263015
(1S,3R)-N-((5-(3,5-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45273537
1-((4-Fluorophenyl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 573307
3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263098
1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263126
1h-Pyrazolo[4,3-c]pyridine,1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-,hydrochloride
CID 45265710
3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45265725
(1S,3R)-3-fluoro-N-((5-(3-fluoro-5-(trifluoromethyl)phenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45269228
(1S,3R)-N-((5-(3,4-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270082

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride (CID 130203009) is 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride is Cc1ccc(Cn2nc(C(F)(F)F)c3c2CNCC3)cc1.Cl.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride?
The InChIKey is ZNLHOYJUAOTJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3.ClH/c1-10-2-4-11(5-3-10)9-21-13-8-19-7-6-12(13)14(20-21)15(16,17)18;/h2-5,19H,6-9H2,1H3;1H.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride?
1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride has a molecular weight of 331.77 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride is sourced from PubChem (CID 130203009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).