5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine

C13H12N4O — CID 114821119

IUPAC5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccccn2)co1
InChIInChI=1S/C13H12N4O/c1-8-6-9(7-18-8)12-11(13(14)17-16-12)10-4-2-3-5-15-10/h2-7H,1H3,(H3,14,16,17)
InChIKeyREBYPSBOWWOXIN-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.62
Rot. Bonds2

About 5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine

5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine (PubChem CID 114821119) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
PubChem CID114821119
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccccn2)co1
InChIInChI=1S/C13H12N4O/c1-8-6-9(7-18-8)12-11(13(14)17-16-12)10-4-2-3-5-15-10/h2-7H,1H3,(H3,14,16,17)
InChIKeyREBYPSBOWWOXIN-UHFFFAOYSA-N
XLogP2.62
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine (CID 114821119) is 5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2ccccn2)co1.
What is the InChIKey of 5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The InChIKey is REBYPSBOWWOXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-6-9(7-18-8)12-11(13(14)17-16-12)10-4-2-3-5-15-10/h2-7H,1H3,(H3,14,16,17).
What are the key properties of 5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine has a molecular weight of 240.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 114821119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).