[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone

C17H21ClN4O — CID 124684827

IUPAC[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1
InChIInChI=1S/C17H21ClN4O/c1-19-9-13-4-3-7-21(11-13)17(23)14-10-20-22(12-14)16-6-2-5-15(18)8-16/h2,5-6,8,10,12-13,19H,3-4,7,9,11H2,1H3/t13-/m1/s1
InChIKeyXYQXMXQTAXUIJS-CYBMUJFWSA-N
MW332.83 g/mol
LogP2.60
Rot. Bonds4

About [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone

[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 124684827) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID124684827
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1
InChIInChI=1S/C17H21ClN4O/c1-19-9-13-4-3-7-21(11-13)17(23)14-10-20-22(12-14)16-6-2-5-15(18)8-16/h2,5-6,8,10,12-13,19H,3-4,7,9,11H2,1H3/t13-/m1/s1
InChIKeyXYQXMXQTAXUIJS-CYBMUJFWSA-N
XLogP2.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[1-(4-bromophenyl)pyrazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398252
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chlorophenyl)pyrazol-4-yl]methanone
CID 119412281
[1-(3-chlorophenyl)pyrazol-4-yl]-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 95582875
N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide
CID 119481502
[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545737
[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395236
(1-ethylpyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396309
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
[1-(3-chlorophenyl)pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579544
[1-(3-chlorophenyl)pyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 94582638
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone (CID 124684827) is [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone is CNC[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1.
What is the InChIKey of [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is XYQXMXQTAXUIJS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-19-9-13-4-3-7-21(11-13)17(23)14-10-20-22(12-14)16-6-2-5-15(18)8-16/h2,5-6,8,10,12-13,19H,3-4,7,9,11H2,1H3/t13-/m1/s1.
What are the key properties of [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 332.83 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124684827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).