1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea

C16H12ClFN4O — CID 86895940

IUPAC1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)Nc1ccccc1F
InChIInChI=1S/C16H12ClFN4O/c17-12-5-1-4-8-15(12)22-10-11(9-19-22)20-16(23)21-14-7-3-2-6-13(14)18/h1-10H,(H2,20,21,23)
InChIKeyRRRWZHRUENVFPP-UHFFFAOYSA-N
MW330.75 g/mol
LogP4.31
Rot. Bonds3

About 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea

1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea (PubChem CID 86895940) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea
PubChem CID86895940
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)Nc1ccccc1F
InChIInChI=1S/C16H12ClFN4O/c17-12-5-1-4-8-15(12)22-10-11(9-19-22)20-16(23)21-14-7-3-2-6-13(14)18/h1-10H,(H2,20,21,23)
InChIKeyRRRWZHRUENVFPP-UHFFFAOYSA-N
XLogP4.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
CID 2807997
N-(2,4-dichlorophenyl)-N'-(1-phenyl-5-propyl-1H-pyrazol-4-yl)urea
CID 2807999
N-[1-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-N'-(4-fluorophenyl)urea
CID 2808016
1-[1-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(4-fluorophenyl)urea
CID 3546266
N-(3-chlorophenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2809257
1-[1-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 3460679
1-(2-chlorophenyl)-1H-pyrazol-4-amine
CID 43531693
1-(3-Chloro-2-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 45821293
1-(4-Chloro-3-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47223568
2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49279405
1-(3-Chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea
CID 51085499
N-(3-chlorophenyl)-4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 53149315

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea (CID 86895940) is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea is O=C(Nc1cnn(-c2ccccc2Cl)c1)Nc1ccccc1F.
What is the InChIKey of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea?
The InChIKey is RRRWZHRUENVFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c17-12-5-1-4-8-15(12)22-10-11(9-19-22)20-16(23)21-14-7-3-2-6-13(14)18/h1-10H,(H2,20,21,23).
What are the key properties of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea?
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea has a molecular weight of 330.75 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 86895940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).