1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine

C13H25N5 — CID 113280074

IUPAC1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CC(N)c2cnn(C)c2)CC1(C)C
InChIInChI=1S/C13H25N5/c1-13(2)10-18(6-5-16(13)3)9-12(14)11-7-15-17(4)8-11/h7-8,12H,5-6,9-10,14H2,1-4H3
InChIKeyHVRQYDVSDMHIQN-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.45
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine

1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine (PubChem CID 113280074) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
PubChem CID113280074
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CC(N)c2cnn(C)c2)CC1(C)C
InChIInChI=1S/C13H25N5/c1-13(2)10-18(6-5-16(13)3)9-12(14)11-7-15-17(4)8-11/h7-8,12H,5-6,9-10,14H2,1-4H3
InChIKeyHVRQYDVSDMHIQN-UHFFFAOYSA-N
XLogP0.45
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine (CID 113280074) is 1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine is CN1CCN(CC(N)c2cnn(C)c2)CC1(C)C.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is HVRQYDVSDMHIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-13(2)10-18(6-5-16(13)3)9-12(14)11-7-15-17(4)8-11/h7-8,12H,5-6,9-10,14H2,1-4H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 251.38 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 113280074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).