2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine

C12H23N5 — CID 113280007

IUPAC2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCN1CCN(CC(N)c2cnn(C)c2)CC1
InChIInChI=1S/C12H23N5/c1-3-16-4-6-17(7-5-16)10-12(13)11-8-14-15(2)9-11/h8-9,12H,3-7,10,13H2,1-2H3
InChIKeyANEAGAAOSWPOMN-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.06
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine

2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 113280007) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID113280007
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCN1CCN(CC(N)c2cnn(C)c2)CC1
InChIInChI=1S/C12H23N5/c1-3-16-4-6-17(7-5-16)10-12(13)11-8-14-15(2)9-11/h8-9,12H,3-7,10,13H2,1-2H3
InChIKeyANEAGAAOSWPOMN-UHFFFAOYSA-N
XLogP0.06
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
CID 115291117
2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291197
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280017
1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113280074
2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291360
2-(2-ethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291142
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
2-(2,2-dimethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291150
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291229
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine (CID 113280007) is 2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine is CCN1CCN(CC(N)c2cnn(C)c2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is ANEAGAAOSWPOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-16-4-6-17(7-5-16)10-12(13)11-8-14-15(2)9-11/h8-9,12H,3-7,10,13H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 113280007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).