3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine

C15H21N3 — CID 62717964

IUPAC3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H21N3/c1-2-16-10-6-9-15-11-17-18(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,11,13,16H,2,6,9-10,12H2,1H3
InChIKeyPDSZVAQHOAKHQY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.47
Rot. Bonds7

About 3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine

3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine (PubChem CID 62717964) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
PubChem CID62717964
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H21N3/c1-2-16-10-6-9-15-11-17-18(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,11,13,16H,2,6,9-10,12H2,1H3
InChIKeyPDSZVAQHOAKHQY-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
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 3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine (CID 62717964) is 3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine is CCNCCCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine?
The InChIKey is PDSZVAQHOAKHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-16-10-6-9-15-11-17-18(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,11,13,16H,2,6,9-10,12H2,1H3.
What are the key properties of 3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine?
3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 62717964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).