2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine

C14H26ClN5 — CID 79659585

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine
SMILESCCn1nc(C)c(Cl)c1CC(N)C1CN(C)CCN1C
InChIInChI=1S/C14H26ClN5/c1-5-20-12(14(15)10(2)17-20)8-11(16)13-9-18(3)6-7-19(13)4/h11,13H,5-9,16H2,1-4H3
InChIKeyGLEZBXGUCRUWLY-UHFFFAOYSA-N
MW299.85 g/mol
LogP0.98
Rot. Bonds4

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine (PubChem CID 79659585) has the molecular formula C14H26ClN5 and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine
PubChem CID79659585
Molecular FormulaC14H26ClN5
Molecular Weight299.85 g/mol
Exact Mass299.19
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine
SMILESCCn1nc(C)c(Cl)c1CC(N)C1CN(C)CCN1C
InChIInChI=1S/C14H26ClN5/c1-5-20-12(14(15)10(2)17-20)8-11(16)13-9-18(3)6-7-19(13)4/h11,13H,5-9,16H2,1-4H3
InChIKeyGLEZBXGUCRUWLY-UHFFFAOYSA-N
XLogP0.98
TPSA50.32 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247216
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CID 79056546
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
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CID 103595562
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
CID 79411894
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79962616
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanamine
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CID 79974141
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 105160013
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491483
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine (CID 79659585) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine is CCn1nc(C)c(Cl)c1CC(N)C1CN(C)CCN1C.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine?
The InChIKey is GLEZBXGUCRUWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN5/c1-5-20-12(14(15)10(2)17-20)8-11(16)13-9-18(3)6-7-19(13)4/h11,13H,5-9,16H2,1-4H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine has a molecular weight of 299.85 g/mol, XLogP of 0.98, 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-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 79659585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).