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

C19H19F2N3OS — CID 135476521

IUPAC3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol
SMILESCCC(CCO)c1ccc2cc(-c3n[nH]c4cc(C(F)F)sc34)[nH]c2c1
InChIInChI=1S/C19H19F2N3OS/c1-2-10(5-6-25)11-3-4-12-8-14(22-13(12)7-11)17-18-15(23-24-17)9-16(26-18)19(20)21/h3-4,7-10,19,22,25H,2,5-6H2,1H3,(H,23,24)
InChIKeyQSHCREGFSDLGEP-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.59
Rot. Bonds6

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

3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol (PubChem CID 135476521) has the molecular formula C19H19F2N3OS and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol.

Molecular Properties

Compound Name3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol
PubChem CID135476521
Molecular FormulaC19H19F2N3OS
Molecular Weight375.44 g/mol
Exact Mass375.12
IUPAC Name3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol
SMILESCCC(CCO)c1ccc2cc(-c3n[nH]c4cc(C(F)F)sc34)[nH]c2c1
InChIInChI=1S/C19H19F2N3OS/c1-2-10(5-6-25)11-3-4-12-8-14(22-13(12)7-11)17-18-15(23-24-17)9-16(26-18)19(20)21/h3-4,7-10,19,22,25H,2,5-6H2,1H3,(H,23,24)
InChIKeyQSHCREGFSDLGEP-UHFFFAOYSA-N
XLogP5.59
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol?
The IUPAC name of 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol (CID 135476521) is 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol.
What is the SMILES notation for 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol?
The canonical SMILES for 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol is CCC(CCO)c1ccc2cc(-c3n[nH]c4cc(C(F)F)sc34)[nH]c2c1.
What is the InChIKey of 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol?
The InChIKey is QSHCREGFSDLGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3OS/c1-2-10(5-6-25)11-3-4-12-8-14(22-13(12)7-11)17-18-15(23-24-17)9-16(26-18)19(20)21/h3-4,7-10,19,22,25H,2,5-6H2,1H3,(H,23,24).
What are the key properties of 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol?
3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol has a molecular weight of 375.44 g/mol, XLogP of 5.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol is sourced from PubChem (CID 135476521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).