2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine

C14H26ClN5 — CID 79659017

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1c(Cl)c(C)nn1C)C1CN(C)CCN1C
InChIInChI=1S/C14H26ClN5/c1-10-14(15)12(20(5)17-10)8-11(16-2)13-9-18(3)6-7-19(13)4/h11,13,16H,6-9H2,1-5H3
InChIKeyNDAHRBXFWXGCJL-UHFFFAOYSA-N
MW299.85 g/mol
LogP0.76
Rot. Bonds4

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (PubChem CID 79659017) has the molecular formula C14H26ClN5 and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
PubChem CID79659017
Molecular FormulaC14H26ClN5
Molecular Weight299.85 g/mol
Exact Mass299.19
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1c(Cl)c(C)nn1C)C1CN(C)CCN1C
InChIInChI=1S/C14H26ClN5/c1-10-14(15)12(20(5)17-10)8-11(16-2)13-9-18(3)6-7-19(13)4/h11,13,16H,6-9H2,1-5H3
InChIKeyNDAHRBXFWXGCJL-UHFFFAOYSA-N
XLogP0.76
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine
CID 79974421
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414955
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658770
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 79659585
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996892
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 115387887
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropylethyl]hydrazine
CID 105202592
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79659153
2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79664163

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (CID 79659017) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is CNC(Cc1c(Cl)c(C)nn1C)C1CN(C)CCN1C.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The InChIKey is NDAHRBXFWXGCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN5/c1-10-14(15)12(20(5)17-10)8-11(16-2)13-9-18(3)6-7-19(13)4/h11,13,16H,6-9H2,1-5H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine has a molecular weight of 299.85 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is sourced from PubChem (CID 79659017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).