1-(2-methoxyethyl)-N-methylpyrazol-4-amine

C7H13N3O — CID 63091445

IUPAC1-(2-methoxyethyl)-N-methylpyrazol-4-amine
SMILESCNc1cnn(CCOC)c1
InChIInChI=1S/C7H13N3O/c1-8-7-5-9-10(6-7)3-4-11-2/h5-6,8H,3-4H2,1-2H3
InChIKeyVURVPWWUUXHQIL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.57
Rot. Bonds4

About 1-(2-methoxyethyl)-N-methylpyrazol-4-amine

1-(2-methoxyethyl)-N-methylpyrazol-4-amine (PubChem CID 63091445) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methylpyrazol-4-amine
PubChem CID63091445
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(2-methoxyethyl)-N-methylpyrazol-4-amine
SMILESCNc1cnn(CCOC)c1
InChIInChI=1S/C7H13N3O/c1-8-7-5-9-10(6-7)3-4-11-2/h5-6,8H,3-4H2,1-2H3
InChIKeyVURVPWWUUXHQIL-UHFFFAOYSA-N
XLogP0.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methylpyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-methylpyrazol-4-amine (CID 63091445) is 1-(2-methoxyethyl)-N-methylpyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methylpyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-methylpyrazol-4-amine is CNc1cnn(CCOC)c1.
What is the InChIKey of 1-(2-methoxyethyl)-N-methylpyrazol-4-amine?
The InChIKey is VURVPWWUUXHQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-8-7-5-9-10(6-7)3-4-11-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-N-methylpyrazol-4-amine?
1-(2-methoxyethyl)-N-methylpyrazol-4-amine has a molecular weight of 155.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methylpyrazol-4-amine is sourced from PubChem (CID 63091445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).