[4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine

C9H15N3O — CID 165465616

IUPAC[4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine
SMILESC=C(OCC)c1cnn(C)c1CN
InChIInChI=1S/C9H15N3O/c1-4-13-7(2)8-6-11-12(3)9(8)5-10/h6H,2,4-5,10H2,1,3H3
InChIKeyGXRKHEXMTUPDRQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.89
Rot. Bonds4

About [4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine

[4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine (PubChem CID 165465616) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine
PubChem CID165465616
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine
SMILESC=C(OCC)c1cnn(C)c1CN
InChIInChI=1S/C9H15N3O/c1-4-13-7(2)8-6-11-12(3)9(8)5-10/h6H,2,4-5,10H2,1,3H3
InChIKeyGXRKHEXMTUPDRQ-UHFFFAOYSA-N
XLogP0.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.89
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 [4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine?
The IUPAC name of [4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine (CID 165465616) is [4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine.
What is the SMILES notation for [4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine?
The canonical SMILES for [4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine is C=C(OCC)c1cnn(C)c1CN.
What is the InChIKey of [4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine?
The InChIKey is GXRKHEXMTUPDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-13-7(2)8-6-11-12(3)9(8)5-10/h6H,2,4-5,10H2,1,3H3.
What are the key properties of [4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine?
[4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine is sourced from PubChem (CID 165465616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).