2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

C11H9Cl2N3S — CID 10613177

IUPAC2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccc(Cl)c(Cl)c1)CSC2
InChIInChI=1S/C11H9Cl2N3S/c12-8-2-1-6(3-9(8)13)16-11(14)7-4-17-5-10(7)15-16/h1-3H,4-5,14H2
InChIKeyULBOWNQCYDEOLN-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.51
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (PubChem CID 10613177) has the molecular formula C11H9Cl2N3S and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
PubChem CID10613177
Molecular FormulaC11H9Cl2N3S
Molecular Weight286.19 g/mol
Exact Mass284.99
IUPAC Name2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccc(Cl)c(Cl)c1)CSC2
InChIInChI=1S/C11H9Cl2N3S/c12-8-2-1-6(3-9(8)13)16-11(14)7-4-17-5-10(7)15-16/h1-3H,4-5,14H2
InChIKeyULBOWNQCYDEOLN-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (CID 10613177) is 2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)CSC2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The InChIKey is ULBOWNQCYDEOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3S/c12-8-2-1-6(3-9(8)13)16-11(14)7-4-17-5-10(7)15-16/h1-3H,4-5,14H2.
What are the key properties of 2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine has a molecular weight of 286.19 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 10613177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).