N-(1-methoxyethyl)pyrazol-1-amine

C6H11N3O — CID 69400900

IUPACN-(1-methoxyethyl)pyrazol-1-amine
SMILESCOC(C)Nn1cccn1
InChIInChI=1S/C6H11N3O/c1-6(10-2)8-9-5-3-4-7-9/h3-6,8H,1-2H3
InChIKeyMNWSPMSDLIXQFP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.42
Rot. Bonds3

About N-(1-methoxyethyl)pyrazol-1-amine

N-(1-methoxyethyl)pyrazol-1-amine (PubChem CID 69400900) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(1-methoxyethyl)pyrazol-1-amine.

Molecular Properties

Compound NameN-(1-methoxyethyl)pyrazol-1-amine
PubChem CID69400900
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-(1-methoxyethyl)pyrazol-1-amine
SMILESCOC(C)Nn1cccn1
InChIInChI=1S/C6H11N3O/c1-6(10-2)8-9-5-3-4-7-9/h3-6,8H,1-2H3
InChIKeyMNWSPMSDLIXQFP-UHFFFAOYSA-N
XLogP0.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethyl)pyrazol-1-amine?
The IUPAC name of N-(1-methoxyethyl)pyrazol-1-amine (CID 69400900) is N-(1-methoxyethyl)pyrazol-1-amine.
What is the SMILES notation for N-(1-methoxyethyl)pyrazol-1-amine?
The canonical SMILES for N-(1-methoxyethyl)pyrazol-1-amine is COC(C)Nn1cccn1.
What is the InChIKey of N-(1-methoxyethyl)pyrazol-1-amine?
The InChIKey is MNWSPMSDLIXQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-6(10-2)8-9-5-3-4-7-9/h3-6,8H,1-2H3.
What are the key properties of N-(1-methoxyethyl)pyrazol-1-amine?
N-(1-methoxyethyl)pyrazol-1-amine has a molecular weight of 141.17 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyl)pyrazol-1-amine is sourced from PubChem (CID 69400900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).