[3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride

C16H25ClN6O — CID 119493717

IUPAC[3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-10-15(11(2)21(4)20-10)13-8-14(19-18-13)16(23)22-7-5-6-12(9-22)17-3;/h8,12,17H,5-7,9H2,1-4H3,(H,18,19);1H
InChIKeyQMURLPAUVSUYRG-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.67
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride (PubChem CID 119493717) has the molecular formula C16H25ClN6O and a molecular weight of 352.87 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
PubChem CID119493717
Molecular FormulaC16H25ClN6O
Molecular Weight352.87 g/mol
Exact Mass352.18
IUPAC Name[3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-10-15(11(2)21(4)20-10)13-8-14(19-18-13)16(23)22-7-5-6-12(9-22)17-3;/h8,12,17H,5-7,9H2,1-4H3,(H,18,19);1H
InChIKeyQMURLPAUVSUYRG-UHFFFAOYSA-N
XLogP1.67
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119381724
N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119621412
[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119520864
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489210
N-(2-cyclopentyl-2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 111604022
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492307
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78880516
N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 78879720
ethyl 4-[[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 78880710
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 71700603
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 99123471
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879120

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride (CID 119493717) is [3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride?
The InChIKey is QMURLPAUVSUYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O.ClH/c1-10-15(11(2)21(4)20-10)13-8-14(19-18-13)16(23)22-7-5-6-12(9-22)17-3;/h8,12,17H,5-7,9H2,1-4H3,(H,18,19);1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride is sourced from PubChem (CID 119493717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).