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

C17H17N3O2 — CID 22319573

IUPACN-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3cccc(O)c3)ccc12
InChIInChI=1S/C17H17N3O2/c1-2-4-16(22)18-17-14-8-7-12(10-15(14)19-20-17)11-5-3-6-13(21)9-11/h3,5-10,21H,2,4H2,1H3,(H2,18,19,20,22)
InChIKeyUKQRPDHIQLHFNS-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.67
Rot. Bonds4

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

N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319573) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319573
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3cccc(O)c3)ccc12
InChIInChI=1S/C17H17N3O2/c1-2-4-16(22)18-17-14-8-7-12(10-15(14)19-20-17)11-5-3-6-13(21)9-11/h3,5-10,21H,2,4H2,1H3,(H2,18,19,20,22)
InChIKeyUKQRPDHIQLHFNS-UHFFFAOYSA-N
XLogP3.67
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide (CID 22319573) is N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3cccc(O)c3)ccc12.
What is the InChIKey of N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is UKQRPDHIQLHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-4-16(22)18-17-14-8-7-12(10-15(14)19-20-17)11-5-3-6-13(21)9-11/h3,5-10,21H,2,4H2,1H3,(H2,18,19,20,22).
What are the key properties of N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 295.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).