N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide

C26H21N3O2S — CID 1289335

IUPACN-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccc1)Cc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C26H21N3O2S/c30-26(23-13-7-15-31-23)28(17-20-9-3-1-4-10-20)18-21-19-29(22-11-5-2-6-12-22)27-25(21)24-14-8-16-32-24/h1-16,19H,17-18H2
InChIKeyHMQDKGFNFOURSR-UHFFFAOYSA-N
MW439.54 g/mol
LogP6.04
Rot. Bonds7

About N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide

N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 1289335) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide
PubChem CID1289335
Molecular FormulaC26H21N3O2S
Molecular Weight439.54 g/mol
Exact Mass439.14
IUPAC NameN-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccc1)Cc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C26H21N3O2S/c30-26(23-13-7-15-31-23)28(17-20-9-3-1-4-10-20)18-21-19-29(22-11-5-2-6-12-22)27-25(21)24-14-8-16-32-24/h1-16,19H,17-18H2
InChIKeyHMQDKGFNFOURSR-UHFFFAOYSA-N
XLogP6.04
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-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 N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide (CID 1289335) is N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccccc1)Cc1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is HMQDKGFNFOURSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c30-26(23-13-7-15-31-23)28(17-20-9-3-1-4-10-20)18-21-19-29(22-11-5-2-6-12-22)27-25(21)24-14-8-16-32-24/h1-16,19H,17-18H2.
What are the key properties of N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide?
N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1289335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).