5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine

C15H13N3O2S — CID 62502031

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc3c(c2)OCCO3)c1-c1cccs1
InChIInChI=1S/C15H13N3O2S/c16-15-13(12-2-1-7-21-12)14(17-18-15)9-3-4-10-11(8-9)20-6-5-19-10/h1-4,7-8H,5-6H2,(H3,16,17,18)
InChIKeyCZTWGJGZEHQSGM-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.16
Rot. Bonds2

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 62502031) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID62502031
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc3c(c2)OCCO3)c1-c1cccs1
InChIInChI=1S/C15H13N3O2S/c16-15-13(12-2-1-7-21-12)14(17-18-15)9-3-4-10-11(8-9)20-6-5-19-10/h1-4,7-8H,5-6H2,(H3,16,17,18)
InChIKeyCZTWGJGZEHQSGM-UHFFFAOYSA-N
XLogP3.16
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 62502031) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc3c(c2)OCCO3)c1-c1cccs1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is CZTWGJGZEHQSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-15-13(12-2-1-7-21-12)14(17-18-15)9-3-4-10-11(8-9)20-6-5-19-10/h1-4,7-8H,5-6H2,(H3,16,17,18).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 299.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 62502031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).