N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H21N3O2 — CID 131942160

IUPACN-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc2cc(NC(=O)CCc3c(C)nn(C)c3C)ccc2o1
InChIInChI=1S/C18H21N3O2/c1-11-9-14-10-15(5-7-17(14)23-11)19-18(22)8-6-16-12(2)20-21(4)13(16)3/h5,7,9-10H,6,8H2,1-4H3,(H,19,22)
InChIKeyIILZIRYCNCDLNH-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.66
Rot. Bonds4

About N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 131942160) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID131942160
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc2cc(NC(=O)CCc3c(C)nn(C)c3C)ccc2o1
InChIInChI=1S/C18H21N3O2/c1-11-9-14-10-15(5-7-17(14)23-11)19-18(22)8-6-16-12(2)20-21(4)13(16)3/h5,7,9-10H,6,8H2,1-4H3,(H,19,22)
InChIKeyIILZIRYCNCDLNH-UHFFFAOYSA-N
XLogP3.66
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119515818
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
N-[3-(methoxymethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 32639084
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131891075
N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17499400
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30014395
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51334690
N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31518712
N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55787663
2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 55805084
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55713823

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 131942160) is N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1cc2cc(NC(=O)CCc3c(C)nn(C)c3C)ccc2o1.
What is the InChIKey of N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is IILZIRYCNCDLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-9-14-10-15(5-7-17(14)23-11)19-18(22)8-6-16-12(2)20-21(4)13(16)3/h5,7,9-10H,6,8H2,1-4H3,(H,19,22).
What are the key properties of N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 311.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 131942160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).