N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide

C23H29N3O — CID 45269261

IUPACN-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C)cc2)c1
InChIInChI=1S/C23H29N3O/c1-4-6-19(7-5-2)23(27)24-15-18-10-13-22-20(14-18)16-25-26(22)21-11-8-17(3)9-12-21/h8-14,16,19H,4-7,15H2,1-3H3,(H,24,27)
InChIKeyMJTQBEDSIXELDP-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.17
Rot. Bonds8

About N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide

N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide (PubChem CID 45269261) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
PubChem CID45269261
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C)cc2)c1
InChIInChI=1S/C23H29N3O/c1-4-6-19(7-5-2)23(27)24-15-18-10-13-22-20(14-18)16-25-26(22)21-11-8-17(3)9-12-21/h8-14,16,19H,4-7,15H2,1-3H3,(H,24,27)
InChIKeyMJTQBEDSIXELDP-UHFFFAOYSA-N
XLogP5.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide (CID 45269261) is N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C)cc2)c1.
What is the InChIKey of N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The InChIKey is MJTQBEDSIXELDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-4-6-19(7-5-2)23(27)24-15-18-10-13-22-20(14-18)16-25-26(22)21-11-8-17(3)9-12-21/h8-14,16,19H,4-7,15H2,1-3H3,(H,24,27).
What are the key properties of N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide has a molecular weight of 363.51 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide is sourced from PubChem (CID 45269261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).