N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine

C12H17N3O — CID 79778231

IUPACN-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine
SMILESCNC(C)Cc1ccc(-c2cnn(C)c2)o1
InChIInChI=1S/C12H17N3O/c1-9(13-2)6-11-4-5-12(16-11)10-7-14-15(3)8-10/h4-5,7-9,13H,6H2,1-3H3
InChIKeyRIXUKMHLDIINJE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.83
Rot. Bonds4

About N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine

N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine (PubChem CID 79778231) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine
PubChem CID79778231
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine
SMILESCNC(C)Cc1ccc(-c2cnn(C)c2)o1
InChIInChI=1S/C12H17N3O/c1-9(13-2)6-11-4-5-12(16-11)10-7-14-15(3)8-10/h4-5,7-9,13H,6H2,1-3H3
InChIKeyRIXUKMHLDIINJE-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine (CID 79778231) is N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine is CNC(C)Cc1ccc(-c2cnn(C)c2)o1.
What is the InChIKey of N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine?
The InChIKey is RIXUKMHLDIINJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(13-2)6-11-4-5-12(16-11)10-7-14-15(3)8-10/h4-5,7-9,13H,6H2,1-3H3.
What are the key properties of N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine?
N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine is sourced from PubChem (CID 79778231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).