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

C23H29N3O — CID 45267528

IUPACN-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2)c1
InChIInChI=1S/C23H29N3O/c1-4-7-19(8-5-2)23(27)24-15-18-11-12-22-20(14-18)16-25-26(22)21-10-6-9-17(3)13-21/h6,9-14,16,19H,4-5,7-8,15H2,1-3H3,(H,24,27)
InChIKeyQFVLIKLKPJSXTI-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.17
Rot. Bonds8

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

N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide (PubChem CID 45267528) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
PubChem CID45267528
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2)c1
InChIInChI=1S/C23H29N3O/c1-4-7-19(8-5-2)23(27)24-15-18-11-12-22-20(14-18)16-25-26(22)21-10-6-9-17(3)13-21/h6,9-14,16,19H,4-5,7-8,15H2,1-3H3,(H,24,27)
InChIKeyQFVLIKLKPJSXTI-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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Related Compounds

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CID 121271792
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
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CID 59251119
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide (CID 45267528) is N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2)c1.
What is the InChIKey of N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The InChIKey is QFVLIKLKPJSXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-4-7-19(8-5-2)23(27)24-15-18-11-12-22-20(14-18)16-25-26(22)21-10-6-9-17(3)13-21/h6,9-14,16,19H,4-5,7-8,15H2,1-3H3,(H,24,27).
What are the key properties of N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
N-[[1-(3-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-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide is sourced from PubChem (CID 45267528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).