N-(6-benzyl-1H-indazol-3-yl)butanamide

C18H19N3O — CID 10266409

IUPACN-(6-benzyl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cc3ccccc3)ccc12
InChIInChI=1S/C18H19N3O/c1-2-6-17(22)19-18-15-10-9-14(12-16(15)20-21-18)11-13-7-4-3-5-8-13/h3-5,7-10,12H,2,6,11H2,1H3,(H2,19,20,21,22)
InChIKeyUUOMNVRBMQQPLH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.89
Rot. Bonds5

About N-(6-benzyl-1H-indazol-3-yl)butanamide

N-(6-benzyl-1H-indazol-3-yl)butanamide (PubChem CID 10266409) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(6-benzyl-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-benzyl-1H-indazol-3-yl)butanamide
PubChem CID10266409
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(6-benzyl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cc3ccccc3)ccc12
InChIInChI=1S/C18H19N3O/c1-2-6-17(22)19-18-15-10-9-14(12-16(15)20-21-18)11-13-7-4-3-5-8-13/h3-5,7-10,12H,2,6,11H2,1H3,(H2,19,20,21,22)
InChIKeyUUOMNVRBMQQPLH-UHFFFAOYSA-N
XLogP3.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-benzyl-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(6-benzyl-1H-indazol-3-yl)butanamide (CID 10266409) is N-(6-benzyl-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(6-benzyl-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(6-benzyl-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2cc(Cc3ccccc3)ccc12.
What is the InChIKey of N-(6-benzyl-1H-indazol-3-yl)butanamide?
The InChIKey is UUOMNVRBMQQPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-6-17(22)19-18-15-10-9-14(12-16(15)20-21-18)11-13-7-4-3-5-8-13/h3-5,7-10,12H,2,6,11H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(6-benzyl-1H-indazol-3-yl)butanamide?
N-(6-benzyl-1H-indazol-3-yl)butanamide has a molecular weight of 293.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzyl-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 10266409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).