[3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone

C19H13FN2O2S — CID 22261030

IUPAC[3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone
SMILESO=C(c1ccc2c(c1)c(-c1cccc(F)c1)nn2CO)c1cccs1
InChIInChI=1S/C19H13FN2O2S/c20-14-4-1-3-12(9-14)18-15-10-13(19(24)17-5-2-8-25-17)6-7-16(15)22(11-23)21-18/h1-10,23H,11H2
InChIKeyCIYQCLQPNJZOGN-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.08
Rot. Bonds4

About [3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone

[3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone (PubChem CID 22261030) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone
PubChem CID22261030
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name[3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone
SMILESO=C(c1ccc2c(c1)c(-c1cccc(F)c1)nn2CO)c1cccs1
InChIInChI=1S/C19H13FN2O2S/c20-14-4-1-3-12(9-14)18-15-10-13(19(24)17-5-2-8-25-17)6-7-16(15)22(11-23)21-18/h1-10,23H,11H2
InChIKeyCIYQCLQPNJZOGN-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone (CID 22261030) is [3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone is O=C(c1ccc2c(c1)c(-c1cccc(F)c1)nn2CO)c1cccs1.
What is the InChIKey of [3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone?
The InChIKey is CIYQCLQPNJZOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-14-4-1-3-12(9-14)18-15-10-13(19(24)17-5-2-8-25-17)6-7-16(15)22(11-23)21-18/h1-10,23H,11H2.
What are the key properties of [3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone?
[3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone has a molecular weight of 352.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1-(hydroxymethyl)indazol-5-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 22261030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).