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

C19H19F2N3OS — CID 135566612

IUPAC3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc2cc(-c3n[nH]c4cc(C(F)F)sc34)[nH]c2c1
InChIInChI=1S/C19H19F2N3OS/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/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)
InChIKeyCQZZZUNOWZUNNG-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.72
Rot. Bonds5

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

3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol (PubChem CID 135566612) 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-3-ol.

Molecular Properties

Compound Name3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol
PubChem CID135566612
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-3-ol
SMILESCCC(O)(CC)c1ccc2cc(-c3n[nH]c4cc(C(F)F)sc34)[nH]c2c1
InChIInChI=1S/C19H19F2N3OS/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/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)
InChIKeyCQZZZUNOWZUNNG-UHFFFAOYSA-N
XLogP5.72
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-3-ol?
The IUPAC name of 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol (CID 135566612) is 3-[2-[5-(difluoromethyl)-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)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol?
The canonical SMILES for 3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol is CCC(O)(CC)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-3-ol?
The InChIKey is CQZZZUNOWZUNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3OS/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/h5-9,18,22,25H,3-4H2,1-2H3,(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-3-ol?
3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol has a molecular weight of 375.44 g/mol, XLogP of 5.72, 5 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-3-ol is sourced from PubChem (CID 135566612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).