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

C25H25N3O2 — CID 135848031

IUPACN-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccc(CC)cc3)cc12
InChIInChI=1S/C25H25N3O2/c1-3-5-24(30)26-25-22-14-20(17-8-6-16(4-2)7-9-17)21(15-23(22)27-28-25)18-10-12-19(29)13-11-18/h6-15,29H,3-5H2,1-2H3,(H2,26,27,28,30)
InChIKeyMYGIDWBZASVDSB-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.90
Rot. Bonds6

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

N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 135848031) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID135848031
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccc(CC)cc3)cc12
InChIInChI=1S/C25H25N3O2/c1-3-5-24(30)26-25-22-14-20(17-8-6-16(4-2)7-9-17)21(15-23(22)27-28-25)18-10-12-19(29)13-11-18/h6-15,29H,3-5H2,1-2H3,(H2,26,27,28,30)
InChIKeyMYGIDWBZASVDSB-UHFFFAOYSA-N
XLogP5.90
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-(3-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 22319573
N-[6-(4-Hydroxyphenyl)-1h-Indazol-3-Yl]butanamide
CID 135458003
N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide
CID 135566516
N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
CID 135435018
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137652911
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-hydroxyphenyl)urea
CID 16124775
N-(6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 22319607
N-(6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135433925
N-(5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135546072
N-(6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135848025
N-[5-(3-pyridyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
CID 135848026
N-(5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135848030

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (CID 135848031) is N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccc(CC)cc3)cc12.
What is the InChIKey of N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is MYGIDWBZASVDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-5-24(30)26-25-22-14-20(17-8-6-16(4-2)7-9-17)21(15-23(22)27-28-25)18-10-12-19(29)13-11-18/h6-15,29H,3-5H2,1-2H3,(H2,26,27,28,30).
What are the key properties of N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 399.49 g/mol, XLogP of 5.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 135848031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).