[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C18H24Cl2N4O — CID 119487791

IUPAC[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCCc1c(C(=O)N2CCCC(NC)C2)cnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H23ClN4O.ClH/c1-3-17-16(18(24)22-9-5-7-14(12-22)20-2)11-21-23(17)15-8-4-6-13(19)10-15;/h4,6,8,10-11,14,20H,3,5,7,9,12H2,1-2H3;1H
InChIKeyTVPCYIMOMCWDKE-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.33
Rot. Bonds4

About [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119487791) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119487791
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCCc1c(C(=O)N2CCCC(NC)C2)cnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H23ClN4O.ClH/c1-3-17-16(18(24)22-9-5-7-14(12-22)20-2)11-21-23(17)15-8-4-6-13(19)10-15;/h4,6,8,10-11,14,20H,3,5,7,9,12H2,1-2H3;1H
InChIKeyTVPCYIMOMCWDKE-UHFFFAOYSA-N
XLogP3.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 52654373
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55596430
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]methanone
CID 120814267
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
2-[(2R)-4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124684984
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]methanone;hydrochloride
CID 120746298
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46589414
(3aS,6aR)-2-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683655
4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 55599229
[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38908946

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119487791) is [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CCc1c(C(=O)N2CCCC(NC)C2)cnn1-c1cccc(Cl)c1.Cl.
What is the InChIKey of [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is TVPCYIMOMCWDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O.ClH/c1-3-17-16(18(24)22-9-5-7-14(12-22)20-2)11-21-23(17)15-8-4-6-13(19)10-15;/h4,6,8,10-11,14,20H,3,5,7,9,12H2,1-2H3;1H.
What are the key properties of [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 383.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119487791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).