2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline

C17H19N3O — CID 2330618

IUPAC2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline
SMILESCNc1ccccc1C(C)(C)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C17H19N3O/c1-17(2,12-7-4-5-8-13(12)18-3)16-11-14(19-20-16)15-9-6-10-21-15/h4-11,18H,1-3H3,(H,19,20)
InChIKeyUAWKPSCIJRJUMP-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.04
Rot. Bonds4

About 2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline

2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline (PubChem CID 2330618) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline
PubChem CID2330618
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline
SMILESCNc1ccccc1C(C)(C)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C17H19N3O/c1-17(2,12-7-4-5-8-13(12)18-3)16-11-14(19-20-16)15-9-6-10-21-15/h4-11,18H,1-3H3,(H,19,20)
InChIKeyUAWKPSCIJRJUMP-UHFFFAOYSA-N
XLogP4.04
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline?
The IUPAC name of 2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline (CID 2330618) is 2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline.
What is the SMILES notation for 2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline?
The canonical SMILES for 2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline is CNc1ccccc1C(C)(C)c1cc(-c2ccco2)n[nH]1.
What is the InChIKey of 2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline?
The InChIKey is UAWKPSCIJRJUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,12-7-4-5-8-13(12)18-3)16-11-14(19-20-16)15-9-6-10-21-15/h4-11,18H,1-3H3,(H,19,20).
What are the key properties of 2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline?
2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline has a molecular weight of 281.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(furan-2-yl)-1H-pyrazol-5-yl]propan-2-yl]-N-methylaniline is sourced from PubChem (CID 2330618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).