N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide

C26H20FN5OS — CID 24548750

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1c[nH]c(=S)n1-c1ccc(F)cc1
InChIInChI=1S/C26H20FN5OS/c27-20-11-13-22(14-12-20)32-23(16-29-26(32)34)25(33)28-15-19-17-31(21-9-5-2-6-10-21)30-24(19)18-7-3-1-4-8-18/h1-14,16-17H,15H2,(H,28,33)(H,29,34)
InChIKeyVPCWADIGSQQISM-UHFFFAOYSA-N
MW469.55 g/mol
LogP5.46
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 24548750) has the molecular formula C26H20FN5OS and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID24548750
Molecular FormulaC26H20FN5OS
Molecular Weight469.55 g/mol
Exact Mass469.14
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1c[nH]c(=S)n1-c1ccc(F)cc1
InChIInChI=1S/C26H20FN5OS/c27-20-11-13-22(14-12-20)32-23(16-29-26(32)34)25(33)28-15-19-17-31(21-9-5-2-6-10-21)30-24(19)18-7-3-1-4-8-18/h1-14,16-17H,15H2,(H,28,33)(H,29,34)
InChIKeyVPCWADIGSQQISM-UHFFFAOYSA-N
XLogP5.46
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-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

Related Compounds

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 18228691
3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24538472
N-[[2-(methoxymethyl)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32604397
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717
3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24551430
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889
3-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 17481881
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 24548750) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1c[nH]c(=S)n1-c1ccc(F)cc1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is VPCWADIGSQQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5OS/c27-20-11-13-22(14-12-20)32-23(16-29-26(32)34)25(33)28-15-19-17-31(21-9-5-2-6-10-21)30-24(19)18-7-3-1-4-8-18/h1-14,16-17H,15H2,(H,28,33)(H,29,34).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 24548750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).