N-(5-phenyl-1H-indazol-3-yl)butanamide

C17H17N3O — CID 6539551

IUPACN-(5-phenyl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C17H17N3O/c1-2-6-16(21)18-17-14-11-13(9-10-15(14)19-20-17)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3,(H2,18,19,20,21)
InChIKeyBEKSOHVYNHFKGU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.97
Rot. Bonds4

About N-(5-phenyl-1H-indazol-3-yl)butanamide

N-(5-phenyl-1H-indazol-3-yl)butanamide (PubChem CID 6539551) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(5-phenyl-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-indazol-3-yl)butanamide
PubChem CID6539551
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(5-phenyl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C17H17N3O/c1-2-6-16(21)18-17-14-11-13(9-10-15(14)19-20-17)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3,(H2,18,19,20,21)
InChIKeyBEKSOHVYNHFKGU-UHFFFAOYSA-N
XLogP3.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
CID 6539554
N-(6-phenyl-1H-indazol-3-yl)cyclopropanecarboxamide
CID 6539593
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539603
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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(5-phenyl-1H-indazol-3-yl)butanamide (CID 6539551) is N-(5-phenyl-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(5-phenyl-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(5-phenyl-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2ccc(-c3ccccc3)cc12.
What is the InChIKey of N-(5-phenyl-1H-indazol-3-yl)butanamide?
The InChIKey is BEKSOHVYNHFKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-6-16(21)18-17-14-11-13(9-10-15(14)19-20-17)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(5-phenyl-1H-indazol-3-yl)butanamide?
N-(5-phenyl-1H-indazol-3-yl)butanamide has a molecular weight of 279.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 6539551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).