[2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride

C19H25Cl2N3O2 — CID 171667489

IUPAC[2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride
SMILESCCOC1CCN(C(=O)c2cc(-n3nc(C)cc3C)ccc2Cl)CC1.Cl
InChIInChI=1S/C19H24ClN3O2.ClH/c1-4-25-16-7-9-22(10-8-16)19(24)17-12-15(5-6-18(17)20)23-14(3)11-13(2)21-23;/h5-6,11-12,16H,4,7-10H2,1-3H3;1H
InChIKeyHHZRGLZFPOXEFZ-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.21
Rot. Bonds4

About [2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride

[2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride (PubChem CID 171667489) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is [2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride
PubChem CID171667489
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name[2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride
SMILESCCOC1CCN(C(=O)c2cc(-n3nc(C)cc3C)ccc2Cl)CC1.Cl
InChIInChI=1S/C19H24ClN3O2.ClH/c1-4-25-16-7-9-22(10-8-16)19(24)17-12-15(5-6-18(17)20)23-14(3)11-13(2)21-23;/h5-6,11-12,16H,4,7-10H2,1-3H3;1H
InChIKeyHHZRGLZFPOXEFZ-UHFFFAOYSA-N
XLogP4.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50884704
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 78829190
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119376722
(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62237710
[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863992
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide
CID 46975737
[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106503185
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 82687777
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-[4-(3-hydroxypropoxy)piperidin-1-yl]methanone
CID 71853509
5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid
CID 82513661

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride (CID 171667489) is [2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride is CCOC1CCN(C(=O)c2cc(-n3nc(C)cc3C)ccc2Cl)CC1.Cl.
What is the InChIKey of [2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride?
The InChIKey is HHZRGLZFPOXEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.ClH/c1-4-25-16-7-9-22(10-8-16)19(24)17-12-15(5-6-18(17)20)23-14(3)11-13(2)21-23;/h5-6,11-12,16H,4,7-10H2,1-3H3;1H.
What are the key properties of [2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride?
[2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride has a molecular weight of 398.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 171667489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).