1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea

C22H16F2N4O — CID 71812409

IUPAC1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
SMILESO=C(Nc1ccc(F)c(F)c1)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H16F2N4O/c23-18-12-11-16(13-19(18)24)25-22(29)26-21-14-20(15-7-3-1-4-8-15)27-28(21)17-9-5-2-6-10-17/h1-14H,(H2,25,26,29)
InChIKeyQTXPHCHEMGIMJO-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.46
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea

1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea (PubChem CID 71812409) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
PubChem CID71812409
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
SMILESO=C(Nc1ccc(F)c(F)c1)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H16F2N4O/c23-18-12-11-16(13-19(18)24)25-22(29)26-21-14-20(15-7-3-1-4-8-15)27-28(21)17-9-5-2-6-10-17/h1-14H,(H2,25,26,29)
InChIKeyQTXPHCHEMGIMJO-UHFFFAOYSA-N
XLogP5.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816
N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea
CID 71812408
ethyl 4-[5-[(4-chlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]benzoate
CID 58011087
2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134796816
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 1052133
1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea
CID 70789119
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46088012
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea (CID 71812409) is 1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea is O=C(Nc1ccc(F)c(F)c1)Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea?
The InChIKey is QTXPHCHEMGIMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c23-18-12-11-16(13-19(18)24)25-22(29)26-21-14-20(15-7-3-1-4-8-15)27-28(21)17-9-5-2-6-10-17/h1-14H,(H2,25,26,29).
What are the key properties of 1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea?
1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea has a molecular weight of 390.39 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea is sourced from PubChem (CID 71812409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).