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

C16H13FN4O — CID 126548047

IUPAC(4-fluoro-1,3-diphenylpyrazol-5-yl)urea
SMILESNC(=O)Nc1c(F)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C16H13FN4O/c17-13-14(11-7-3-1-4-8-11)20-21(15(13)19-16(18)22)12-9-5-2-6-10-12/h1-10H,(H3,18,19,22)
InChIKeyKOTKKIYAIVVRKV-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.17
Rot. Bonds3

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

(4-fluoro-1,3-diphenylpyrazol-5-yl)urea (PubChem CID 126548047) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is (4-fluoro-1,3-diphenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name(4-fluoro-1,3-diphenylpyrazol-5-yl)urea
PubChem CID126548047
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name(4-fluoro-1,3-diphenylpyrazol-5-yl)urea
SMILESNC(=O)Nc1c(F)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C16H13FN4O/c17-13-14(11-7-3-1-4-8-11)20-21(15(13)19-16(18)22)12-9-5-2-6-10-12/h1-10H,(H3,18,19,22)
InChIKeyKOTKKIYAIVVRKV-UHFFFAOYSA-N
XLogP3.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ML297
CID 56642816
6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,3-diphenylpyrazol-5-yl)urea?
The IUPAC name of (4-fluoro-1,3-diphenylpyrazol-5-yl)urea (CID 126548047) is (4-fluoro-1,3-diphenylpyrazol-5-yl)urea.
What is the SMILES notation for (4-fluoro-1,3-diphenylpyrazol-5-yl)urea?
The canonical SMILES for (4-fluoro-1,3-diphenylpyrazol-5-yl)urea is NC(=O)Nc1c(F)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of (4-fluoro-1,3-diphenylpyrazol-5-yl)urea?
The InChIKey is KOTKKIYAIVVRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-13-14(11-7-3-1-4-8-11)20-21(15(13)19-16(18)22)12-9-5-2-6-10-12/h1-10H,(H3,18,19,22).
What are the key properties of (4-fluoro-1,3-diphenylpyrazol-5-yl)urea?
(4-fluoro-1,3-diphenylpyrazol-5-yl)urea has a molecular weight of 296.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,3-diphenylpyrazol-5-yl)urea is sourced from PubChem (CID 126548047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).