N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C26H27N3O4 — CID 55689940

IUPACN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCCOCCOCc1cccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1
InChIInChI=1S/C26H27N3O4/c1-2-31-14-15-32-19-21-9-6-8-20(16-21)18-27-26(30)24-17-23(25-12-7-13-33-25)28-29(24)22-10-4-3-5-11-22/h3-13,16-17H,2,14-15,18-19H2,1H3,(H,27,30)
InChIKeyVTOJKYCEZWHKEJ-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.62
Rot. Bonds11

About N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 55689940) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID55689940
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCCOCCOCc1cccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1
InChIInChI=1S/C26H27N3O4/c1-2-31-14-15-32-19-21-9-6-8-20(16-21)18-27-26(30)24-17-23(25-12-7-13-33-25)28-29(24)22-10-4-3-5-11-22/h3-13,16-17H,2,14-15,18-19H2,1H3,(H,27,30)
InChIKeyVTOJKYCEZWHKEJ-UHFFFAOYSA-N
XLogP4.62
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053527
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
3-(furan-2-yl)-N-(2-methoxyethyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42762387
3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide
CID 46569851
N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18131972
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide
CID 24597839
3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 24583888
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 55689940) is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is CCOCCOCc1cccc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is VTOJKYCEZWHKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-2-31-14-15-32-19-21-9-6-8-20(16-21)18-27-26(30)24-17-23(25-12-7-13-33-25)28-29(24)22-10-4-3-5-11-22/h3-13,16-17H,2,14-15,18-19H2,1H3,(H,27,30).
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 55689940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).