N-(2-methoxyethyl)-1H-pyrazol-5-amine

C6H11N3O — CID 69351451

IUPACN-(2-methoxyethyl)-1H-pyrazol-5-amine
SMILESCOCCNc1ccn[nH]1
InChIInChI=1S/C6H11N3O/c1-10-5-4-7-6-2-3-8-9-6/h2-3H,4-5H2,1H3,(H2,7,8,9)
InChIKeyYHAAUYNPECGCMJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.47
Rot. Bonds4

About N-(2-methoxyethyl)-1H-pyrazol-5-amine

N-(2-methoxyethyl)-1H-pyrazol-5-amine (PubChem CID 69351451) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1H-pyrazol-5-amine
PubChem CID69351451
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-(2-methoxyethyl)-1H-pyrazol-5-amine
SMILESCOCCNc1ccn[nH]1
InChIInChI=1S/C6H11N3O/c1-10-5-4-7-6-2-3-8-9-6/h2-3H,4-5H2,1H3,(H2,7,8,9)
InChIKeyYHAAUYNPECGCMJ-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-5-amine?
The IUPAC name of N-(2-methoxyethyl)-1H-pyrazol-5-amine (CID 69351451) is N-(2-methoxyethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-1H-pyrazol-5-amine is COCCNc1ccn[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-1H-pyrazol-5-amine?
The InChIKey is YHAAUYNPECGCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-10-5-4-7-6-2-3-8-9-6/h2-3H,4-5H2,1H3,(H2,7,8,9).
What are the key properties of N-(2-methoxyethyl)-1H-pyrazol-5-amine?
N-(2-methoxyethyl)-1H-pyrazol-5-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-5-amine is sourced from PubChem (CID 69351451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).