3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide

C18H23N3O2 — CID 119042452

IUPAC3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)NC2COc3ccc(C)cc32)c1C
InChIInChI=1S/C18H23N3O2/c1-5-8-21-13(4)17(12(3)20-21)18(22)19-15-10-23-16-7-6-11(2)9-14(15)16/h6-7,9,15H,5,8,10H2,1-4H3,(H,19,22)
InChIKeyMPCNFISHOLGYJW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.08
Rot. Bonds4

About 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide

3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide (PubChem CID 119042452) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide
PubChem CID119042452
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)NC2COc3ccc(C)cc32)c1C
InChIInChI=1S/C18H23N3O2/c1-5-8-21-13(4)17(12(3)20-21)18(22)19-15-10-23-16-7-6-11(2)9-14(15)16/h6-7,9,15H,5,8,10H2,1-4H3,(H,19,22)
InChIKeyMPCNFISHOLGYJW-UHFFFAOYSA-N
XLogP3.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide (CID 119042452) is 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide is CCCn1nc(C)c(C(=O)NC2COc3ccc(C)cc32)c1C.
What is the InChIKey of 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide?
The InChIKey is MPCNFISHOLGYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-5-8-21-13(4)17(12(3)20-21)18(22)19-15-10-23-16-7-6-11(2)9-14(15)16/h6-7,9,15H,5,8,10H2,1-4H3,(H,19,22).
What are the key properties of 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide?
3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 119042452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).