[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride

C19H24ClF3N4O — CID 119596695

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
SMILESCc1ccccc1-n1ncc(C(=O)N2CCCC(C(C)N)C2)c1C(F)(F)F.Cl
InChIInChI=1S/C19H23F3N4O.ClH/c1-12-6-3-4-8-16(12)26-17(19(20,21)22)15(10-24-26)18(27)25-9-5-7-14(11-25)13(2)23;/h3-4,6,8,10,13-14H,5,7,9,11,23H2,1-2H3;1H
InChIKeyMHPLBVLGTPPIII-UHFFFAOYSA-N
MW416.88 g/mol
LogP3.82
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride (PubChem CID 119596695) has the molecular formula C19H24ClF3N4O and a molecular weight of 416.88 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
PubChem CID119596695
Molecular FormulaC19H24ClF3N4O
Molecular Weight416.88 g/mol
Exact Mass416.16
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
SMILESCc1ccccc1-n1ncc(C(=O)N2CCCC(C(C)N)C2)c1C(F)(F)F.Cl
InChIInChI=1S/C19H23F3N4O.ClH/c1-12-6-3-4-8-16(12)26-17(19(20,21)22)15(10-24-26)18(27)25-9-5-7-14(11-25)13(2)23;/h3-4,6,8,10,13-14H,5,7,9,11,23H2,1-2H3;1H
InChIKeyMHPLBVLGTPPIII-UHFFFAOYSA-N
XLogP3.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.88
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;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

[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 124689060
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
CID 119493676
(3-ethylpiperidin-1-yl)-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 55654686
azocan-1-yl-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 55604786
[4-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
CID 119563921
(4-aminopiperidin-1-yl)-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 119376801
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119596232
(2-hydroxyphenyl)-[4-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55850609
4-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239330
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 51113786
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 124591955
[3-(1-aminoethyl)piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 119594333

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride (CID 119596695) is [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride is Cc1ccccc1-n1ncc(C(=O)N2CCCC(C(C)N)C2)c1C(F)(F)F.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride?
The InChIKey is MHPLBVLGTPPIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O.ClH/c1-12-6-3-4-8-16(12)26-17(19(20,21)22)15(10-24-26)18(27)25-9-5-7-14(11-25)13(2)23;/h3-4,6,8,10,13-14H,5,7,9,11,23H2,1-2H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride has a molecular weight of 416.88 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119596695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).