N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine

C12H17N3O — CID 95732772

IUPACN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2ccco2)n(C)n1
InChIInChI=1S/C12H17N3O/c1-9(2)13-8-10-7-11(15(3)14-10)12-5-4-6-16-12/h4-7,9,13H,8H2,1-3H3
InChIKeyBZSFMLODLHJUEG-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.18
Rot. Bonds4

About N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine

N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine (PubChem CID 95732772) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine
PubChem CID95732772
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2ccco2)n(C)n1
InChIInChI=1S/C12H17N3O/c1-9(2)13-8-10-7-11(15(3)14-10)12-5-4-6-16-12/h4-7,9,13H,8H2,1-3H3
InChIKeyBZSFMLODLHJUEG-UHFFFAOYSA-N
XLogP2.18
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine (CID 95732772) is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(-c2ccco2)n(C)n1.
What is the InChIKey of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine?
The InChIKey is BZSFMLODLHJUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)13-8-10-7-11(15(3)14-10)12-5-4-6-16-12/h4-7,9,13H,8H2,1-3H3.
What are the key properties of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine?
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 95732772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).