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

C18H25ClN4O2 — CID 119519940

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)N3CCC(C(C)N)CC3)n2)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-13(19)14-7-10-21(11-8-14)18(23)17-9-12-22(20-17)15-3-5-16(24-2)6-4-15;/h3-6,9,12-14H,7-8,10-11,19H2,1-2H3;1H
InChIKeyHPMJLABFYMWHOX-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.50
Rot. Bonds4

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

[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride (PubChem CID 119519940) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
PubChem CID119519940
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)N3CCC(C(C)N)CC3)n2)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-13(19)14-7-10-21(11-8-14)18(23)17-9-12-22(20-17)15-3-5-16(24-2)6-4-15;/h3-6,9,12-14H,7-8,10-11,19H2,1-2H3;1H
InChIKeyHPMJLABFYMWHOX-UHFFFAOYSA-N
XLogP2.50
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 111429739
(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119482974
[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545939
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119436927
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119518136
(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
(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 122149214
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023395
[1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone
CID 97000310
[4-(1-aminoethyl)piperidin-1-yl]-(2-iodo-4-methoxyphenyl)methanone;hydrochloride
CID 119517181

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride (CID 119519940) is [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride is COc1ccc(-n2ccc(C(=O)N3CCC(C(C)N)CC3)n2)cc1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
The InChIKey is HPMJLABFYMWHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-13(19)14-7-10-21(11-8-14)18(23)17-9-12-22(20-17)15-3-5-16(24-2)6-4-15;/h3-6,9,12-14H,7-8,10-11,19H2,1-2H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119519940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).