5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide

C23H21N3O2 — CID 19466086

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C23H21N3O2/c1-16-14-17(2)26(25-16)15-21-12-13-22(28-21)23(27)24-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyLBIMJRIKIHSQHE-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.06
Rot. Bonds5

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide (PubChem CID 19466086) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
PubChem CID19466086
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C23H21N3O2/c1-16-14-17(2)26(25-16)15-21-12-13-22(28-21)23(27)24-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyLBIMJRIKIHSQHE-UHFFFAOYSA-N
XLogP5.06
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)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

Related Compounds

Furan-2-carboxamide deriv., 7
CID 44236894
Furan-2-carboxamide deriv., 8
CID 44236895
Furan-2-carboxamide deriv., 9
CID 44236896
5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1022956
N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 1017805
N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-[(5-{4-nitrophenyl}-2-furyl)methylene]-2-furohydrazide
CID 9563827
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
CID 3239894
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-[4-(dimethylamino)benzylidene]-2-furohydrazide
CID 6874059

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide (CID 19466086) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide?
The InChIKey is LBIMJRIKIHSQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-14-17(2)26(25-16)15-21-12-13-22(28-21)23(27)24-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19466086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).