4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide

C17H17N3O2 — CID 67550373

IUPAC4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide
SMILESNC(=O)CCC(c1ccc(O)cc1)c1[nH]nc2ccccc12
InChIInChI=1S/C17H17N3O2/c18-16(22)10-9-13(11-5-7-12(21)8-6-11)17-14-3-1-2-4-15(14)19-20-17/h1-8,13,21H,9-10H2,(H2,18,22)(H,19,20)
InChIKeyYEZNWTNMARKVAZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.67
Rot. Bonds5

About 4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide

4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide (PubChem CID 67550373) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide
PubChem CID67550373
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide
SMILESNC(=O)CCC(c1ccc(O)cc1)c1[nH]nc2ccccc12
InChIInChI=1S/C17H17N3O2/c18-16(22)10-9-13(11-5-7-12(21)8-6-11)17-14-3-1-2-4-15(14)19-20-17/h1-8,13,21H,9-10H2,(H2,18,22)(H,19,20)
InChIKeyYEZNWTNMARKVAZ-UHFFFAOYSA-N
XLogP2.67
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide?
The IUPAC name of 4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide (CID 67550373) is 4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide is NC(=O)CCC(c1ccc(O)cc1)c1[nH]nc2ccccc12.
What is the InChIKey of 4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide?
The InChIKey is YEZNWTNMARKVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-16(22)10-9-13(11-5-7-12(21)8-6-11)17-14-3-1-2-4-15(14)19-20-17/h1-8,13,21H,9-10H2,(H2,18,22)(H,19,20).
What are the key properties of 4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide?
4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide has a molecular weight of 295.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-4-(2H-indazol-3-yl)butanamide is sourced from PubChem (CID 67550373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).