1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea

C21H17FN4OS — CID 142685144

IUPAC1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea
SMILESCc1c(-c2cccs2)nn(-c2ccccc2)c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H17FN4OS/c1-14-19(18-8-5-13-28-18)25-26(17-6-3-2-4-7-17)20(14)24-21(27)23-16-11-9-15(22)10-12-16/h2-13H,1H3,(H2,23,24,27)
InChIKeyJMQYVQFNJVNANV-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.69
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea

1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea (PubChem CID 142685144) has the molecular formula C21H17FN4OS and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea
PubChem CID142685144
Molecular FormulaC21H17FN4OS
Molecular Weight392.46 g/mol
Exact Mass392.11
IUPAC Name1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea
SMILESCc1c(-c2cccs2)nn(-c2ccccc2)c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H17FN4OS/c1-14-19(18-8-5-13-28-18)25-26(17-6-3-2-4-7-17)20(14)24-21(27)23-16-11-9-15(22)10-12-16/h2-13H,1H3,(H2,23,24,27)
InChIKeyJMQYVQFNJVNANV-UHFFFAOYSA-N
XLogP5.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(3-Cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea
CID 71812790
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CID 135823711
2-(4-acetamidophenyl)sulfanyl-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 2080443
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 2348506
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
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CID 2742763
1-(2-Methyl-5-phenylpyrazol-3-yl)-3-thiophen-2-ylurea
CID 2815277
(2Z)-N-[2-(4-fluorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide
CID 6027952
Thiophene-3-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11371383
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-4-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea (CID 142685144) is 1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea is Cc1c(-c2cccs2)nn(-c2ccccc2)c1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea?
The InChIKey is JMQYVQFNJVNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS/c1-14-19(18-8-5-13-28-18)25-26(17-6-3-2-4-7-17)20(14)24-21(27)23-16-11-9-15(22)10-12-16/h2-13H,1H3,(H2,23,24,27).
What are the key properties of 1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea?
1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea has a molecular weight of 392.46 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 142685144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).