[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C19H25ClN4O — CID 119645720

IUPAC[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C)CC1
InChIInChI=1S/C19H25ClN4O/c1-3-21-12-15-8-10-23(11-9-15)19(25)16-13-22-24(14(16)2)18-7-5-4-6-17(18)20/h4-7,13,15,21H,3,8-12H2,1-2H3
InChIKeyKVUWIXKWHIEKBF-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.30
Rot. Bonds5

About [1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119645720) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119645720
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C)CC1
InChIInChI=1S/C19H25ClN4O/c1-3-21-12-15-8-10-23(11-9-15)19(25)16-13-22-24(14(16)2)18-7-5-4-6-17(18)20/h4-7,13,15,21H,3,8-12H2,1-2H3
InChIKeyKVUWIXKWHIEKBF-UHFFFAOYSA-N
XLogP3.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 119644898
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561305
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[4-(methylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119543374
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone;hydrochloride
CID 119662673
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111758263
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647191
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649893
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone
CID 124691927
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone
CID 124690290
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
(2R)-1-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370990

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119645720) is [1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C)CC1.
What is the InChIKey of [1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is KVUWIXKWHIEKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-3-21-12-15-8-10-23(11-9-15)19(25)16-13-22-24(14(16)2)18-7-5-4-6-17(18)20/h4-7,13,15,21H,3,8-12H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 360.89 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119645720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).