N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide

C16H23N3O — CID 60969558

IUPACN-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)Nc1n[nH]c2ccccc12)CC(C)(C)C
InChIInChI=1S/C16H23N3O/c1-11(10-16(2,3)4)9-14(20)17-15-12-7-5-6-8-13(12)18-19-15/h5-8,11H,9-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyYMGNTWYHFWBTRI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.96
Rot. Bonds4

About N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide

N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide (PubChem CID 60969558) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide
PubChem CID60969558
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)Nc1n[nH]c2ccccc12)CC(C)(C)C
InChIInChI=1S/C16H23N3O/c1-11(10-16(2,3)4)9-14(20)17-15-12-7-5-6-8-13(12)18-19-15/h5-8,11H,9-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyYMGNTWYHFWBTRI-UHFFFAOYSA-N
XLogP3.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide (CID 60969558) is N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide is CC(CC(=O)Nc1n[nH]c2ccccc12)CC(C)(C)C.
What is the InChIKey of N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide?
The InChIKey is YMGNTWYHFWBTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(10-16(2,3)4)9-14(20)17-15-12-7-5-6-8-13(12)18-19-15/h5-8,11H,9-10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide?
N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide has a molecular weight of 273.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 60969558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).