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

C12H11N3OS — CID 114821094

IUPAC5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccs2)co1
InChIInChI=1S/C12H11N3OS/c1-7-5-8(6-16-7)11-10(12(13)15-14-11)9-3-2-4-17-9/h2-6H,1H3,(H3,13,14,15)
InChIKeyGHQJKAZMOBHPTB-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.29
Rot. Bonds2

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

5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 114821094) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID114821094
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccs2)co1
InChIInChI=1S/C12H11N3OS/c1-7-5-8(6-16-7)11-10(12(13)15-14-11)9-3-2-4-17-9/h2-6H,1H3,(H3,13,14,15)
InChIKeyGHQJKAZMOBHPTB-UHFFFAOYSA-N
XLogP3.29
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.29
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-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 114821094) is 5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2cccs2)co1.
What is the InChIKey of 5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is GHQJKAZMOBHPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-7-5-8(6-16-7)11-10(12(13)15-14-11)9-3-2-4-17-9/h2-6H,1H3,(H3,13,14,15).
What are the key properties of 5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(5-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 245.31 g/mol, XLogP of 3.29, 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-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 114821094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).