N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide

C28H26FN3O3 — CID 56602679

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NCc3ccc4c(c3)CCO4)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C28H26FN3O3/c1-34-25-9-7-24(8-10-25)32-26(20-3-2-4-22(29)16-20)17-23(31-32)6-12-28(33)30-18-19-5-11-27-21(15-19)13-14-35-27/h2-5,7-11,15-17H,6,12-14,18H2,1H3,(H,30,33)
InChIKeyCIVANEDTYCPEMM-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.87
Rot. Bonds8

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide (PubChem CID 56602679) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
PubChem CID56602679
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NCc3ccc4c(c3)CCO4)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C28H26FN3O3/c1-34-25-9-7-24(8-10-25)32-26(20-3-2-4-22(29)16-20)17-23(31-32)6-12-28(33)30-18-19-5-11-27-21(15-19)13-14-35-27/h2-5,7-11,15-17H,6,12-14,18H2,1H3,(H,30,33)
InChIKeyCIVANEDTYCPEMM-UHFFFAOYSA-N
XLogP4.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide (CID 56602679) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide is COc1ccc(-n2nc(CCC(=O)NCc3ccc4c(c3)CCO4)cc2-c2cccc(F)c2)cc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?
The InChIKey is CIVANEDTYCPEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3/c1-34-25-9-7-24(8-10-25)32-26(20-3-2-4-22(29)16-20)17-23(31-32)6-12-28(33)30-18-19-5-11-27-21(15-19)13-14-35-27/h2-5,7-11,15-17H,6,12-14,18H2,1H3,(H,30,33).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide has a molecular weight of 471.53 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 56602679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).