N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

C21H25N3O — CID 2809597

IUPACN-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2nn(C)c3ccccc23)cc1
InChIInChI=1S/C21H25N3O/c1-14(2)13-16-9-11-17(12-10-16)15(3)21(25)22-20-18-7-5-6-8-19(18)24(4)23-20/h5-12,14-15H,13H2,1-4H3,(H,22,23,25)
InChIKeyUFKHKRYZOJUWJQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.51
Rot. Bonds5

About N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 2809597) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID2809597
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2nn(C)c3ccccc23)cc1
InChIInChI=1S/C21H25N3O/c1-14(2)13-16-9-11-17(12-10-16)15(3)21(25)22-20-18-7-5-6-8-19(18)24(4)23-20/h5-12,14-15H,13H2,1-4H3,(H,22,23,25)
InChIKeyUFKHKRYZOJUWJQ-UHFFFAOYSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 2809597) is N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)Nc2nn(C)c3ccccc23)cc1.
What is the InChIKey of N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is UFKHKRYZOJUWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14(2)13-16-9-11-17(12-10-16)15(3)21(25)22-20-18-7-5-6-8-19(18)24(4)23-20/h5-12,14-15H,13H2,1-4H3,(H,22,23,25).
What are the key properties of N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 335.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 2809597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).