[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine

C10H13N3O — CID 106888910

IUPAC[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCc1c(-c2ccc(CN)o2)cnn1C
InChIInChI=1S/C10H13N3O/c1-7-9(6-12-13(7)2)10-4-3-8(5-11)14-10/h3-4,6H,5,11H2,1-2H3
InChIKeyLAKGEQFEAFLHJL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.45
Rot. Bonds2

About [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine

[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine (PubChem CID 106888910) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine
PubChem CID106888910
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCc1c(-c2ccc(CN)o2)cnn1C
InChIInChI=1S/C10H13N3O/c1-7-9(6-12-13(7)2)10-4-3-8(5-11)14-10/h3-4,6H,5,11H2,1-2H3
InChIKeyLAKGEQFEAFLHJL-UHFFFAOYSA-N
XLogP1.45
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine (CID 106888910) is [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine is Cc1c(-c2ccc(CN)o2)cnn1C.
What is the InChIKey of [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine?
The InChIKey is LAKGEQFEAFLHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-9(6-12-13(7)2)10-4-3-8(5-11)14-10/h3-4,6H,5,11H2,1-2H3.
What are the key properties of [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine?
[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine has a molecular weight of 191.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine is sourced from PubChem (CID 106888910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).