N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine

C12H17N3O — CID 115607785

IUPACN-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine
SMILESCc1cnn(CCCNCc2ccoc2)c1
InChIInChI=1S/C12H17N3O/c1-11-7-14-15(9-11)5-2-4-13-8-12-3-6-16-10-12/h3,6-7,9-10,13H,2,4-5,8H2,1H3
InChIKeyCINXPUNUEDAAPG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.96
Rot. Bonds6

About N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine

N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine (PubChem CID 115607785) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine
PubChem CID115607785
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine
SMILESCc1cnn(CCCNCc2ccoc2)c1
InChIInChI=1S/C12H17N3O/c1-11-7-14-15(9-11)5-2-4-13-8-12-3-6-16-10-12/h3,6-7,9-10,13H,2,4-5,8H2,1H3
InChIKeyCINXPUNUEDAAPG-UHFFFAOYSA-N
XLogP1.96
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.96
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 N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine (CID 115607785) is N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine is Cc1cnn(CCCNCc2ccoc2)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is CINXPUNUEDAAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-11-7-14-15(9-11)5-2-4-13-8-12-3-6-16-10-12/h3,6-7,9-10,13H,2,4-5,8H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine?
N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 115607785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).