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

C16H11ClF2N4O — CID 86895939

IUPAC1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H11ClF2N4O/c17-12-3-1-2-4-15(12)23-9-11(8-20-23)21-16(24)22-14-6-5-10(18)7-13(14)19/h1-9H,(H2,21,22,24)
InChIKeyFHCZEUSSYUVJHJ-UHFFFAOYSA-N
MW348.74 g/mol
LogP4.45
Rot. Bonds3

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

1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea (PubChem CID 86895939) has the molecular formula C16H11ClF2N4O and a molecular weight of 348.74 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea
PubChem CID86895939
Molecular FormulaC16H11ClF2N4O
Molecular Weight348.74 g/mol
Exact Mass348.06
IUPAC Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H11ClF2N4O/c17-12-3-1-2-4-15(12)23-9-11(8-20-23)21-16(24)22-14-6-5-10(18)7-13(14)19/h1-9H,(H2,21,22,24)
InChIKeyFHCZEUSSYUVJHJ-UHFFFAOYSA-N
XLogP4.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea (CID 86895939) is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea is O=C(Nc1cnn(-c2ccccc2Cl)c1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea?
The InChIKey is FHCZEUSSYUVJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O/c17-12-3-1-2-4-15(12)23-9-11(8-20-23)21-16(24)22-14-6-5-10(18)7-13(14)19/h1-9H,(H2,21,22,24).
What are the key properties of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea?
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea has a molecular weight of 348.74 g/mol, XLogP of 4.45, 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-(2,4-difluorophenyl)urea is sourced from PubChem (CID 86895939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).