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

C12H11N3OS — CID 55091812

IUPAC5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1occc1-c1[nH]nc(N)c1-c1cccs1
InChIInChI=1S/C12H11N3OS/c1-7-8(4-5-16-7)11-10(12(13)15-14-11)9-3-2-6-17-9/h2-6H,1H3,(H3,13,14,15)
InChIKeyVPIBPFHNMAKFDR-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.29
Rot. Bonds2

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

5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 55091812) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID55091812
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1occc1-c1[nH]nc(N)c1-c1cccs1
InChIInChI=1S/C12H11N3OS/c1-7-8(4-5-16-7)11-10(12(13)15-14-11)9-3-2-6-17-9/h2-6H,1H3,(H3,13,14,15)
InChIKeyVPIBPFHNMAKFDR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_A(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 55091812) is 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is Cc1occc1-c1[nH]nc(N)c1-c1cccs1.
What is the InChIKey of 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is VPIBPFHNMAKFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-7-8(4-5-16-7)11-10(12(13)15-14-11)9-3-2-6-17-9/h2-6H,1H3,(H3,13,14,15).
What are the key properties of 5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(2-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-(2-methylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 55091812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).