[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride

C17H25ClN4O2 — CID 119648286

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(-c3ccc(C)o3)[nH]n2)CC1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-3-18-11-13-6-8-21(9-7-13)17(22)15-10-14(19-20-15)16-5-4-12(2)23-16;/h4-5,10,13,18H,3,6-9,11H2,1-2H3,(H,19,20);1H
InChIKeyMWNKBQJGUFHFBT-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.86
Rot. Bonds5

About [4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride

[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride (PubChem CID 119648286) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
PubChem CID119648286
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(-c3ccc(C)o3)[nH]n2)CC1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-3-18-11-13-6-8-21(9-7-13)17(22)15-10-14(19-20-15)16-5-4-12(2)23-16;/h4-5,10,13,18H,3,6-9,11H2,1-2H3,(H,19,20);1H
InChIKeyMWNKBQJGUFHFBT-UHFFFAOYSA-N
XLogP2.86
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119563954
[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119520866
[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119520867
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644750
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119639342
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118780350
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 70757637
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 154896707
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 70742379

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride (CID 119648286) is [4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride is CCNCC1CCN(C(=O)c2cc(-c3ccc(C)o3)[nH]n2)CC1.Cl.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride?
The InChIKey is MWNKBQJGUFHFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-3-18-11-13-6-8-21(9-7-13)17(22)15-10-14(19-20-15)16-5-4-12(2)23-16;/h4-5,10,13,18H,3,6-9,11H2,1-2H3,(H,19,20);1H.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride?
[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119648286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).