1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea

C21H14IN5OS — CID 2742765

IUPAC1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea
SMILESN#Cc1ccccc1NC(=O)Nc1cc(-c2cccs2)nn1-c1ccc(I)cc1
InChIInChI=1S/C21H14IN5OS/c22-15-7-9-16(10-8-15)27-20(12-18(26-27)19-6-3-11-29-19)25-21(28)24-17-5-2-1-4-14(17)13-23/h1-12H,(H2,24,25,28)
InChIKeyGGWJVFWJHOTWTG-UHFFFAOYSA-N
MW511.35 g/mol
LogP5.72
Rot. Bonds4

About 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea

1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea (PubChem CID 2742765) has the molecular formula C21H14IN5OS and a molecular weight of 511.35 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea
PubChem CID2742765
Molecular FormulaC21H14IN5OS
Molecular Weight511.35 g/mol
Exact Mass511.00
IUPAC Name1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea
SMILESN#Cc1ccccc1NC(=O)Nc1cc(-c2cccs2)nn1-c1ccc(I)cc1
InChIInChI=1S/C21H14IN5OS/c22-15-7-9-16(10-8-15)27-20(12-18(26-27)19-6-3-11-29-19)25-21(28)24-17-5-2-1-4-14(17)13-23/h1-12H,(H2,24,25,28)
InChIKeyGGWJVFWJHOTWTG-UHFFFAOYSA-N
XLogP5.72
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.35
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea 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

Thiophene-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11152155
N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
CID 2742763
Thiophene-3-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11371383
(4R,6S)-3,6-dimethyl-1-(2-methylphenyl)-4-(4-thiophen-2-ylphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136254238
1-phenyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 43158972
(E)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 2334628
3-methyl-6-oxo-1-phenyl-4-(2-thienyl)-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 135419038
2-(benzylthio)-N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135881091
3-methyl-1-phenyl-4-(3-thienyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
CID 135889033
(Z)-N-(1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-3-phenylacrylamide
CID 135912415
2-(benzylsulfanyl)-N-[1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl]acetamide
CID 135912426
5-Amino-1-phenyl-3-(thiophen-2-yl)pyrazole-4-carbonitrile
CID 21860261

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea?
The IUPAC name of 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea (CID 2742765) is 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea.
What is the SMILES notation for 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea?
The canonical SMILES for 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea is N#Cc1ccccc1NC(=O)Nc1cc(-c2cccs2)nn1-c1ccc(I)cc1.
What is the InChIKey of 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea?
The InChIKey is GGWJVFWJHOTWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14IN5OS/c22-15-7-9-16(10-8-15)27-20(12-18(26-27)19-6-3-11-29-19)25-21(28)24-17-5-2-1-4-14(17)13-23/h1-12H,(H2,24,25,28).
What are the key properties of 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea?
1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea has a molecular weight of 511.35 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-3-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]urea is sourced from PubChem (CID 2742765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).