N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide

C24H31N3O — CID 45270944

IUPACN-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1
InChIInChI=1S/C24H31N3O/c1-5-8-20(9-6-2)24(28)25-15-19-12-13-23-21(14-19)16-26-27(23)22-11-7-10-17(3)18(22)4/h7,10-14,16,20H,5-6,8-9,15H2,1-4H3,(H,25,28)
InChIKeyHVOPXEDYTXZCJZ-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.47
Rot. Bonds8

About N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide

N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide (PubChem CID 45270944) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
PubChem CID45270944
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1
InChIInChI=1S/C24H31N3O/c1-5-8-20(9-6-2)24(28)25-15-19-12-13-23-21(14-19)16-26-27(23)22-11-7-10-17(3)18(22)4/h7,10-14,16,20H,5-6,8-9,15H2,1-4H3,(H,25,28)
InChIKeyHVOPXEDYTXZCJZ-UHFFFAOYSA-N
XLogP5.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide (CID 45270944) is N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1.
What is the InChIKey of N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The InChIKey is HVOPXEDYTXZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-5-8-20(9-6-2)24(28)25-15-19-12-13-23-21(14-19)16-26-27(23)22-11-7-10-17(3)18(22)4/h7,10-14,16,20H,5-6,8-9,15H2,1-4H3,(H,25,28).
What are the key properties of N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide has a molecular weight of 377.53 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide is sourced from PubChem (CID 45270944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).