1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea

C14H16F2N4O2 — CID 51080223

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NCc2ccccc2OC(F)F)n(C)n1
InChIInChI=1S/C14H16F2N4O2/c1-9-7-12(20(2)19-9)18-14(21)17-8-10-5-3-4-6-11(10)22-13(15)16/h3-7,13H,8H2,1-2H3,(H2,17,18,21)
InChIKeyVJEFZKZIOZVNTF-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.65
Rot. Bonds5

About 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea

1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea (PubChem CID 51080223) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea
PubChem CID51080223
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NCc2ccccc2OC(F)F)n(C)n1
InChIInChI=1S/C14H16F2N4O2/c1-9-7-12(20(2)19-9)18-14(21)17-8-10-5-3-4-6-11(10)22-13(15)16/h3-7,13H,8H2,1-2H3,(H2,17,18,21)
InChIKeyVJEFZKZIOZVNTF-UHFFFAOYSA-N
XLogP2.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea (CID 51080223) is 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)NCc2ccccc2OC(F)F)n(C)n1.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The InChIKey is VJEFZKZIOZVNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-9-7-12(20(2)19-9)18-14(21)17-8-10-5-3-4-6-11(10)22-13(15)16/h3-7,13H,8H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea has a molecular weight of 310.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 51080223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).