3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol

C19H21F2N3OS — CID 144857709

About 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol

3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol (PubChem CID 144857709) has the molecular formula C19H21F2N3OS and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol.

Molecular Properties

• Compound Name: 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol
• PubChem CID: 144857709
• Molecular Formula: C19H21F2N3OS
• Molecular Weight: 377.46 g/mol
• Exact Mass: 377.14
• IUPAC Name: 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol
• SMILES: CCC(O)(CC)c1ccc2cc(C3NNc4cc(C(F)F)sc43)[nH]c2c1
• InChI: InChI=1S/C19H21F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,16,18,22-25H,3-4H2,1-2H3
• InChIKey: NABJMYANUZRJKW-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 60.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.46
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol?

The IUPAC name of 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol (CID 144857709) is 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol.

What is the SMILES notation for 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol?

The canonical SMILES for 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol is CCC(O)(CC)c1ccc2cc(C3NNc4cc(C(F)F)sc43)[nH]c2c1.

What is the InChIKey of 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol?

The InChIKey is NABJMYANUZRJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,16,18,22-25H,3-4H2,1-2H3.

What are the key properties of 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol?

3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol has a molecular weight of 377.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-(difluoromethyl)-2,3-dihydro-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol is sourced from PubChem (CID 144857709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).