[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C18H22Cl2N4O — CID 119645690

IUPAC[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1
InChIInChI=1S/C18H22Cl2N4O/c1-2-21-12-13-5-8-23(9-6-13)18(25)17-7-10-24(22-17)14-3-4-15(19)16(20)11-14/h3-4,7,10-11,13,21H,2,5-6,8-9,12H2,1H3
InChIKeyCVPSQFWDXIDTGO-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.64
Rot. Bonds5

About [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119645690) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119645690
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1
InChIInChI=1S/C18H22Cl2N4O/c1-2-21-12-13-5-8-23(9-6-13)18(25)17-7-10-24(22-17)14-3-4-15(19)16(20)11-14/h3-4,7,10-11,13,21H,2,5-6,8-9,12H2,1H3
InChIKeyCVPSQFWDXIDTGO-UHFFFAOYSA-N
XLogP3.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178472
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545939
[4-(methylaminomethyl)piperidin-1-yl]-[1-(4-nitrophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119545199
2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 124702711
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
4-[4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]benzamide
CID 86969138
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645704
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
2-(3,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119645223

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119645690) is [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1.
What is the InChIKey of [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is CVPSQFWDXIDTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-2-21-12-13-5-8-23(9-6-13)18(25)17-7-10-24(22-17)14-3-4-15(19)16(20)11-14/h3-4,7,10-11,13,21H,2,5-6,8-9,12H2,1H3.
What are the key properties of [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 381.31 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119645690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).