2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine

C6H12N4O — CID 23132180

IUPAC2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine
SMILESCOCC(N)(N)c1ccn[nH]1
InChIInChI=1S/C6H12N4O/c1-11-4-6(7,8)5-2-3-9-10-5/h2-3H,4,7-8H2,1H3,(H,9,10)
InChIKeyGDAONMWYPDAJAO-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.87
Rot. Bonds3

About 2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine

2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine (PubChem CID 23132180) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine
PubChem CID23132180
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine
SMILESCOCC(N)(N)c1ccn[nH]1
InChIInChI=1S/C6H12N4O/c1-11-4-6(7,8)5-2-3-9-10-5/h2-3H,4,7-8H2,1H3,(H,9,10)
InChIKeyGDAONMWYPDAJAO-UHFFFAOYSA-N
XLogP-0.87
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
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 2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine?
The IUPAC name of 2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine (CID 23132180) is 2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine.
What is the SMILES notation for 2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine?
The canonical SMILES for 2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine is COCC(N)(N)c1ccn[nH]1.
What is the InChIKey of 2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine?
The InChIKey is GDAONMWYPDAJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-11-4-6(7,8)5-2-3-9-10-5/h2-3H,4,7-8H2,1H3,(H,9,10).
What are the key properties of 2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine?
2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine has a molecular weight of 156.19 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1H-pyrazol-5-yl)ethane-1,1-diamine is sourced from PubChem (CID 23132180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).