[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C18H25ClN4O2 — CID 119545939

IUPAC[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccn(-c3ccc(OC)cc3)n2)CC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-19-13-14-7-10-21(11-8-14)18(23)17-9-12-22(20-17)15-3-5-16(24-2)6-4-15;/h3-6,9,12,14,19H,7-8,10-11,13H2,1-2H3;1H
InChIKeyPFIHVHXHBFKEJL-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.37
Rot. Bonds5

About [1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119545939) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119545939
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccn(-c3ccc(OC)cc3)n2)CC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-19-13-14-7-10-21(11-8-14)18(23)17-9-12-22(20-17)15-3-5-16(24-2)6-4-15;/h3-6,9,12,14,19H,7-8,10-11,13H2,1-2H3;1H
InChIKeyPFIHVHXHBFKEJL-UHFFFAOYSA-N
XLogP2.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-[1-(4-nitrophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119545199
(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119482974
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119519940
[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 111429739
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543502
(3-amino-7-azaspiro[3.5]nonan-7-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 154872028
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 166239498
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395031
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545610
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119625337
[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645690
[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 76869145

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119545939) is [1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)c2ccn(-c3ccc(OC)cc3)n2)CC1.Cl.
What is the InChIKey of [1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is PFIHVHXHBFKEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-19-13-14-7-10-21(11-8-14)18(23)17-9-12-22(20-17)15-3-5-16(24-2)6-4-15;/h3-6,9,12,14,19H,7-8,10-11,13H2,1-2H3;1H.
What are the key properties of [1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119545939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).