1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine

C12H17N3O — CID 102806876

IUPAC1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cn(C)nc2C)o1
InChIInChI=1S/C12H17N3O/c1-4-10(13)12-6-5-11(16-12)9-7-15(3)14-8(9)2/h5-7,10H,4,13H2,1-3H3
InChIKeyWWPSBISCOLWGHI-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.40
Rot. Bonds3

About 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine

1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine (PubChem CID 102806876) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine
PubChem CID102806876
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cn(C)nc2C)o1
InChIInChI=1S/C12H17N3O/c1-4-10(13)12-6-5-11(16-12)9-7-15(3)14-8(9)2/h5-7,10H,4,13H2,1-3H3
InChIKeyWWPSBISCOLWGHI-UHFFFAOYSA-N
XLogP2.40
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine (CID 102806876) is 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine is CCC(N)c1ccc(-c2cn(C)nc2C)o1.
What is the InChIKey of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine?
The InChIKey is WWPSBISCOLWGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-10(13)12-6-5-11(16-12)9-7-15(3)14-8(9)2/h5-7,10H,4,13H2,1-3H3.
What are the key properties of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine?
1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 102806876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).