1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea

C16H15FN4O — CID 2360016

IUPAC1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea
SMILESO=C(NC1=NN(c2ccccc2)CC1)Nc1ccccc1F
InChIInChI=1S/C16H15FN4O/c17-13-8-4-5-9-14(13)18-16(22)19-15-10-11-21(20-15)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,19,20,22)
InChIKeySWBQBMWDVMBARU-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.17
Rot. Bonds2

About 1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea

1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea (PubChem CID 2360016) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea
PubChem CID2360016
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea
SMILESO=C(NC1=NN(c2ccccc2)CC1)Nc1ccccc1F
InChIInChI=1S/C16H15FN4O/c17-13-8-4-5-9-14(13)18-16(22)19-15-10-11-21(20-15)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,19,20,22)
InChIKeySWBQBMWDVMBARU-UHFFFAOYSA-N
XLogP3.17
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea (CID 2360016) is 1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea is O=C(NC1=NN(c2ccccc2)CC1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea?
The InChIKey is SWBQBMWDVMBARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c17-13-8-4-5-9-14(13)18-16(22)19-15-10-11-21(20-15)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,19,20,22).
What are the key properties of 1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea?
1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea has a molecular weight of 298.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-phenyl-3,4-dihydropyrazol-5-yl)urea is sourced from PubChem (CID 2360016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).