2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

C13H25N5O — CID 114659615

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCOc1cnn(C)c1C(N)CC1CN(C)CCN1C
InChIInChI=1S/C13H25N5O/c1-16-5-6-17(2)10(9-16)7-11(14)13-12(19-4)8-15-18(13)3/h8,10-11H,5-7,9,14H2,1-4H3
InChIKeyZVVHYNDREDASQC-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.06
Rot. Bonds4

About 2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (PubChem CID 114659615) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
PubChem CID114659615
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCOc1cnn(C)c1C(N)CC1CN(C)CCN1C
InChIInChI=1S/C13H25N5O/c1-16-5-6-17(2)10(9-16)7-11(14)13-12(19-4)8-15-18(13)3/h8,10-11H,5-7,9,14H2,1-4H3
InChIKeyZVVHYNDREDASQC-UHFFFAOYSA-N
XLogP0.06
TPSA59.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 105186241
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659608
1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659610
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114657737
2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 105047254
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
2-(1,4-dimethylpiperazin-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 113305498
1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 114659630
2-(1-methoxycyclobutyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 103559895
(4-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114655202
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (CID 114659615) is 2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is COc1cnn(C)c1C(N)CC1CN(C)CCN1C.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is ZVVHYNDREDASQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-16-5-6-17(2)10(9-16)7-11(14)13-12(19-4)8-15-18(13)3/h8,10-11H,5-7,9,14H2,1-4H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 267.38 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 114659615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).