5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide

C18H22FN3O2 — CID 119043473

IUPAC5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2COc3cccc(F)c32)cnn1CC(C)C
InChIInChI=1S/C18H22FN3O2/c1-4-15-12(8-20-22(15)9-11(2)3)18(23)21-14-10-24-16-7-5-6-13(19)17(14)16/h5-8,11,14H,4,9-10H2,1-3H3,(H,21,23)
InChIKeyGZCDYYKJPYCDCP-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.10
Rot. Bonds5

About 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide

5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 119043473) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID119043473
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2COc3cccc(F)c32)cnn1CC(C)C
InChIInChI=1S/C18H22FN3O2/c1-4-15-12(8-20-22(15)9-11(2)3)18(23)21-14-10-24-16-7-5-6-13(19)17(14)16/h5-8,11,14H,4,9-10H2,1-3H3,(H,21,23)
InChIKeyGZCDYYKJPYCDCP-UHFFFAOYSA-N
XLogP3.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-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 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 119043473) is 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide is CCc1c(C(=O)NC2COc3cccc(F)c32)cnn1CC(C)C.
What is the InChIKey of 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is GZCDYYKJPYCDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-4-15-12(8-20-22(15)9-11(2)3)18(23)21-14-10-24-16-7-5-6-13(19)17(14)16/h5-8,11,14H,4,9-10H2,1-3H3,(H,21,23).
What are the key properties of 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119043473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).