4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide

C17H16BrN3O2 — CID 136649473

IUPAC4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide
SMILESNC(=O)CCCc1[nH]nc2cc(-c3ccc(O)cc3)c(Br)cc12
InChIInChI=1S/C17H16BrN3O2/c18-14-8-13-15(2-1-3-17(19)23)20-21-16(13)9-12(14)10-4-6-11(22)7-5-10/h4-9,22H,1-3H2,(H2,19,23)(H,20,21)
InChIKeyUYSDNJWGEZCOIZ-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.51
Rot. Bonds5

About 4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide

4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide (PubChem CID 136649473) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide.

Molecular Properties

Compound Name4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide
PubChem CID136649473
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide
SMILESNC(=O)CCCc1[nH]nc2cc(-c3ccc(O)cc3)c(Br)cc12
InChIInChI=1S/C17H16BrN3O2/c18-14-8-13-15(2-1-3-17(19)23)20-21-16(13)9-12(14)10-4-6-11(22)7-5-10/h4-9,22H,1-3H2,(H2,19,23)(H,20,21)
InChIKeyUYSDNJWGEZCOIZ-UHFFFAOYSA-N
XLogP3.51
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide?
The IUPAC name of 4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide (CID 136649473) is 4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide.
What is the SMILES notation for 4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide?
The canonical SMILES for 4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide is NC(=O)CCCc1[nH]nc2cc(-c3ccc(O)cc3)c(Br)cc12.
What is the InChIKey of 4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide?
The InChIKey is UYSDNJWGEZCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c18-14-8-13-15(2-1-3-17(19)23)20-21-16(13)9-12(14)10-4-6-11(22)7-5-10/h4-9,22H,1-3H2,(H2,19,23)(H,20,21).
What are the key properties of 4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide?
4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide has a molecular weight of 374.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide is sourced from PubChem (CID 136649473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).