1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine

C8H16N4O — CID 122690472

IUPAC1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine
SMILESCOc1nn(CCN(C)C)cc1N
InChIInChI=1S/C8H16N4O/c1-11(2)4-5-12-6-7(9)8(10-12)13-3/h6H,4-5,9H2,1-3H3
InChIKeyWDYURMSMEZNNRB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.04
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine

1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine (PubChem CID 122690472) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine
PubChem CID122690472
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine
SMILESCOc1nn(CCN(C)C)cc1N
InChIInChI=1S/C8H16N4O/c1-11(2)4-5-12-6-7(9)8(10-12)13-3/h6H,4-5,9H2,1-3H3
InChIKeyWDYURMSMEZNNRB-UHFFFAOYSA-N
XLogP0.04
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine (CID 122690472) is 1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine is COc1nn(CCN(C)C)cc1N.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine?
The InChIKey is WDYURMSMEZNNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-11(2)4-5-12-6-7(9)8(10-12)13-3/h6H,4-5,9H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine?
1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine has a molecular weight of 184.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-methoxypyrazol-4-amine is sourced from PubChem (CID 122690472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).