1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea

C23H18ClFN4O — CID 142685137

IUPAC1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea
SMILESCc1ccc(-n2nc(-c3cccc(Cl)c3)cc2NC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H18ClFN4O/c1-15-5-11-20(12-6-15)29-22(14-21(28-29)16-3-2-4-17(24)13-16)27-23(30)26-19-9-7-18(25)8-10-19/h2-14H,1H3,(H2,26,27,30)
InChIKeyXYNRDJUWMJEPEX-UHFFFAOYSA-N
MW420.88 g/mol
LogP6.28
Rot. Bonds4

About 1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea

1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea (PubChem CID 142685137) has the molecular formula C23H18ClFN4O and a molecular weight of 420.88 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea
PubChem CID142685137
Molecular FormulaC23H18ClFN4O
Molecular Weight420.88 g/mol
Exact Mass420.12
IUPAC Name1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea
SMILESCc1ccc(-n2nc(-c3cccc(Cl)c3)cc2NC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H18ClFN4O/c1-15-5-11-20(12-6-15)29-22(14-21(28-29)16-3-2-4-17(24)13-16)27-23(30)26-19-9-7-18(25)8-10-19/h2-14H,1H3,(H2,26,27,30)
InChIKeyXYNRDJUWMJEPEX-UHFFFAOYSA-N
XLogP6.28
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.88
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
Pyrazolourea, 1a
CID 25210518
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide
CID 2118092
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
3-Chloro-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide
CID 11234162
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-p-tolylurea
CID 1052080
1-[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(2-fluorophenyl)urea
CID 9929096
1-(5-tert-Butyl-2-o-tolyl-2H-pyrazol-3-yl)-3-(2,3-dichloro-phenyl)-urea
CID 9931765
1-[5-tert-Butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-3-(2,3-dichloro-phenyl)-urea
CID 9953941
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 11046825

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea (CID 142685137) is 1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea is Cc1ccc(-n2nc(-c3cccc(Cl)c3)cc2NC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea?
The InChIKey is XYNRDJUWMJEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O/c1-15-5-11-20(12-6-15)29-22(14-21(28-29)16-3-2-4-17(24)13-16)27-23(30)26-19-9-7-18(25)8-10-19/h2-14H,1H3,(H2,26,27,30).
What are the key properties of 1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea?
1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea has a molecular weight of 420.88 g/mol, XLogP of 6.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 142685137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).