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

C7H13N3O — CID 79002095

IUPACN-(2-methoxyethyl)-1-methylpyrazol-4-amine
SMILESCOCCNc1cnn(C)c1
InChIInChI=1S/C7H13N3O/c1-10-6-7(5-9-10)8-3-4-11-2/h5-6,8H,3-4H2,1-2H3
InChIKeyUSRJPVMTJWMJSX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.48
Rot. Bonds4

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

N-(2-methoxyethyl)-1-methylpyrazol-4-amine (PubChem CID 79002095) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methylpyrazol-4-amine
PubChem CID79002095
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-(2-methoxyethyl)-1-methylpyrazol-4-amine
SMILESCOCCNc1cnn(C)c1
InChIInChI=1S/C7H13N3O/c1-10-6-7(5-9-10)8-3-4-11-2/h5-6,8H,3-4H2,1-2H3
InChIKeyUSRJPVMTJWMJSX-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methylpyrazol-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-methylpyrazol-4-amine (CID 79002095) is N-(2-methoxyethyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-methylpyrazol-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-methylpyrazol-4-amine is COCCNc1cnn(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-1-methylpyrazol-4-amine?
The InChIKey is USRJPVMTJWMJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-10-6-7(5-9-10)8-3-4-11-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-methylpyrazol-4-amine?
N-(2-methoxyethyl)-1-methylpyrazol-4-amine has a molecular weight of 155.20 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 79002095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).