(3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride

C18H23ClF3N5O — CID 119379834

IUPAC(3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride
SMILESCC(C)c1c(C(=O)N2CCCC(N)C2)cnn1-c1ccc(C(F)(F)F)cn1.Cl
InChIInChI=1S/C18H22F3N5O.ClH/c1-11(2)16-14(17(27)25-7-3-4-13(22)10-25)9-24-26(16)15-6-5-12(8-23-15)18(19,20)21;/h5-6,8-9,11,13H,3-4,7,10,22H2,1-2H3;1H
InChIKeyOKNBWDJXSPHJLO-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.39
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride (PubChem CID 119379834) has the molecular formula C18H23ClF3N5O and a molecular weight of 417.86 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride
PubChem CID119379834
Molecular FormulaC18H23ClF3N5O
Molecular Weight417.86 g/mol
Exact Mass417.15
IUPAC Name(3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride
SMILESCC(C)c1c(C(=O)N2CCCC(N)C2)cnn1-c1ccc(C(F)(F)F)cn1.Cl
InChIInChI=1S/C18H22F3N5O.ClH/c1-11(2)16-14(17(27)25-7-3-4-13(22)10-25)9-24-26(16)15-6-5-12(8-23-15)18(19,20)21;/h5-6,8-9,11,13H,3-4,7,10,22H2,1-2H3;1H
InChIKeyOKNBWDJXSPHJLO-UHFFFAOYSA-N
XLogP3.39
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56541695
(3-methylpiperazin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 119578900
(2,6-dimethylmorpholin-4-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 46430345
(3,3-dimethylpyrrolidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 126773642
[(3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 126795524
N-(4-aminocyclohexyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119477098
[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532607
[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 55649721
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 55604027
N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
CID 119388462
2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 39059283
(2R)-2-[[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119369745

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride (CID 119379834) is (3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride is CC(C)c1c(C(=O)N2CCCC(N)C2)cnn1-c1ccc(C(F)(F)F)cn1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride?
The InChIKey is OKNBWDJXSPHJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O.ClH/c1-11(2)16-14(17(27)25-7-3-4-13(22)10-25)9-24-26(16)15-6-5-12(8-23-15)18(19,20)21;/h5-6,8-9,11,13H,3-4,7,10,22H2,1-2H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride has a molecular weight of 417.86 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119379834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).