1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine

C8H16N4 — CID 138564432

IUPAC1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine
SMILESCNc1cnn(CCN(C)C)c1
InChIInChI=1S/C8H16N4/c1-9-8-6-10-12(7-8)5-4-11(2)3/h6-7,9H,4-5H2,1-3H3
InChIKeyZJVFCHKDDJODMB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.49
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine

1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine (PubChem CID 138564432) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine
PubChem CID138564432
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine
SMILESCNc1cnn(CCN(C)C)c1
InChIInChI=1S/C8H16N4/c1-9-8-6-10-12(7-8)5-4-11(2)3/h6-7,9H,4-5H2,1-3H3
InChIKeyZJVFCHKDDJODMB-UHFFFAOYSA-N
XLogP0.49
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine (CID 138564432) is 1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine is CNc1cnn(CCN(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine?
The InChIKey is ZJVFCHKDDJODMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-9-8-6-10-12(7-8)5-4-11(2)3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine?
1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine has a molecular weight of 168.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-methylpyrazol-4-amine is sourced from PubChem (CID 138564432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).