2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine

C16H22N4 — CID 114556435

IUPAC2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCCn1nccc1CN1CCc2cccc(N)c2C1
InChIInChI=1S/C16H22N4/c1-2-9-20-14(6-8-18-20)11-19-10-7-13-4-3-5-16(17)15(13)12-19/h3-6,8H,2,7,9-12,17H2,1H3
InChIKeyGCFDQAZWLGVQLM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.43
Rot. Bonds4

About 2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine

2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114556435) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114556435
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCCCn1nccc1CN1CCc2cccc(N)c2C1
InChIInChI=1S/C16H22N4/c1-2-9-20-14(6-8-18-20)11-19-10-7-13-4-3-5-16(17)15(13)12-19/h3-6,8H,2,7,9-12,17H2,1H3
InChIKeyGCFDQAZWLGVQLM-UHFFFAOYSA-N
XLogP2.43
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine (CID 114556435) is 2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine is CCCn1nccc1CN1CCc2cccc(N)c2C1.
What is the InChIKey of 2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is GCFDQAZWLGVQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-9-20-14(6-8-18-20)11-19-10-7-13-4-3-5-16(17)15(13)12-19/h3-6,8H,2,7,9-12,17H2,1H3.
What are the key properties of 2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine?
2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 270.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114556435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).