3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine

C13H25N3O — CID 122166161

IUPAC3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCn1nc(C)cc1CNCCCOCC
InChIInChI=1S/C13H25N3O/c1-4-8-16-13(10-12(3)15-16)11-14-7-6-9-17-5-2/h10,14H,4-9,11H2,1-3H3
InChIKeyMIUZGMIZUSKPJQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.12
Rot. Bonds9

About 3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine

3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 122166161) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID122166161
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCn1nc(C)cc1CNCCCOCC
InChIInChI=1S/C13H25N3O/c1-4-8-16-13(10-12(3)15-16)11-14-7-6-9-17-5-2/h10,14H,4-9,11H2,1-3H3
InChIKeyMIUZGMIZUSKPJQ-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine (CID 122166161) is 3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine is CCCn1nc(C)cc1CNCCCOCC.
What is the InChIKey of 3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is MIUZGMIZUSKPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-8-16-13(10-12(3)15-16)11-14-7-6-9-17-5-2/h10,14H,4-9,11H2,1-3H3.
What are the key properties of 3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine?
3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 122166161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).