1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine

C8H13N3O — CID 19089117

IUPAC1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine
SMILESCCO/C=C/n1ncc(C)c1N
InChIInChI=1S/C8H13N3O/c1-3-12-5-4-11-8(9)7(2)6-10-11/h4-6H,3,9H2,1-2H3/b5-4+
InChIKeyBGYLCVIFNXDREW-SNAWJCMRSA-N
MW167.21 g/mol
LogP1.24
Rot. Bonds3

About 1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine

1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine (PubChem CID 19089117) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine
PubChem CID19089117
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine
SMILESCCO/C=C/n1ncc(C)c1N
InChIInChI=1S/C8H13N3O/c1-3-12-5-4-11-8(9)7(2)6-10-11/h4-6H,3,9H2,1-2H3/b5-4+
InChIKeyBGYLCVIFNXDREW-SNAWJCMRSA-N
XLogP1.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine?
The IUPAC name of 1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine (CID 19089117) is 1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine?
The canonical SMILES for 1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine is CCO/C=C/n1ncc(C)c1N.
What is the InChIKey of 1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine?
The InChIKey is BGYLCVIFNXDREW-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-12-5-4-11-8(9)7(2)6-10-11/h4-6H,3,9H2,1-2H3/b5-4+.
What are the key properties of 1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine?
1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine has a molecular weight of 167.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-ethoxyethenyl]-4-methylpyrazol-5-amine is sourced from PubChem (CID 19089117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).