N-(2-methoxyethyl)-1H-pyrazol-4-amine

C6H11N3O — CID 83814687

IUPACN-(2-methoxyethyl)-1H-pyrazol-4-amine
SMILESCOCCNc1cn[nH]c1
InChIInChI=1S/C6H11N3O/c1-10-3-2-7-6-4-8-9-5-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyAIVQPKZIQPXZGN-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.47
Rot. Bonds4

About N-(2-methoxyethyl)-1H-pyrazol-4-amine

N-(2-methoxyethyl)-1H-pyrazol-4-amine (PubChem CID 83814687) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1H-pyrazol-4-amine
PubChem CID83814687
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-(2-methoxyethyl)-1H-pyrazol-4-amine
SMILESCOCCNc1cn[nH]c1
InChIInChI=1S/C6H11N3O/c1-10-3-2-7-6-4-8-9-5-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyAIVQPKZIQPXZGN-UHFFFAOYSA-N
XLogP0.47
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1H-pyrazol-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1H-pyrazol-4-amine (CID 83814687) is N-(2-methoxyethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1H-pyrazol-4-amine is COCCNc1cn[nH]c1.
What is the InChIKey of N-(2-methoxyethyl)-1H-pyrazol-4-amine?
The InChIKey is AIVQPKZIQPXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-10-3-2-7-6-4-8-9-5-6/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(2-methoxyethyl)-1H-pyrazol-4-amine?
N-(2-methoxyethyl)-1H-pyrazol-4-amine has a molecular weight of 141.17 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 83814687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).