N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide

C23H21N3O2 — CID 135566516

IUPACN-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C23H21N3O2/c1-2-6-22(28)24-23-20-13-18(15-7-4-3-5-8-15)19(14-21(20)25-26-23)16-9-11-17(27)12-10-16/h3-5,7-14,27H,2,6H2,1H3,(H2,24,25,26,28)
InChIKeyKYYOHACAJWYNOT-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.34
Rot. Bonds5

About N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide

N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide (PubChem CID 135566516) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide
PubChem CID135566516
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C23H21N3O2/c1-2-6-22(28)24-23-20-13-18(15-7-4-3-5-8-15)19(14-21(20)25-26-23)16-9-11-17(27)12-10-16/h3-5,7-14,27H,2,6H2,1H3,(H2,24,25,26,28)
InChIKeyKYYOHACAJWYNOT-UHFFFAOYSA-N
XLogP5.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide (CID 135566516) is N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide?
The InChIKey is KYYOHACAJWYNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-6-22(28)24-23-20-13-18(15-7-4-3-5-8-15)19(14-21(20)25-26-23)16-9-11-17(27)12-10-16/h3-5,7-14,27H,2,6H2,1H3,(H2,24,25,26,28).
What are the key properties of N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide?
N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide has a molecular weight of 371.44 g/mol, XLogP of 5.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 135566516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).