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

C17H15F2N3OS — CID 137047792

IUPAC1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol
SMILESCCC(O)c1ccc2cc(-c3n[nH]c4cc(C(F)F)sc34)[nH]c2c1
InChIInChI=1S/C17H15F2N3OS/c1-2-13(23)9-4-3-8-5-11(20-10(8)6-9)15-16-12(21-22-15)7-14(24-16)17(18)19/h3-7,13,17,20,23H,2H2,1H3,(H,21,22)
InChIKeyMHHHOBLEZLMOSJ-UHFFFAOYSA-N
MW347.39 g/mol
LogP5.15
Rot. Bonds4

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

1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol (PubChem CID 137047792) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol
PubChem CID137047792
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC Name1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol
SMILESCCC(O)c1ccc2cc(-c3n[nH]c4cc(C(F)F)sc34)[nH]c2c1
InChIInChI=1S/C17H15F2N3OS/c1-2-13(23)9-4-3-8-5-11(20-10(8)6-9)15-16-12(21-22-15)7-14(24-16)17(18)19/h3-7,13,17,20,23H,2H2,1H3,(H,21,22)
InChIKeyMHHHOBLEZLMOSJ-UHFFFAOYSA-N
XLogP5.15
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol?
The IUPAC name of 1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol (CID 137047792) is 1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol.
What is the SMILES notation for 1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol?
The canonical SMILES for 1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol is CCC(O)c1ccc2cc(-c3n[nH]c4cc(C(F)F)sc34)[nH]c2c1.
What is the InChIKey of 1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol?
The InChIKey is MHHHOBLEZLMOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c1-2-13(23)9-4-3-8-5-11(20-10(8)6-9)15-16-12(21-22-15)7-14(24-16)17(18)19/h3-7,13,17,20,23H,2H2,1H3,(H,21,22).
What are the key properties of 1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol?
1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol has a molecular weight of 347.39 g/mol, XLogP of 5.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol is sourced from PubChem (CID 137047792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).