1-benzyl-3-indazol-1-ylurea

C15H14N4O — CID 91271195

IUPAC1-benzyl-3-indazol-1-ylurea
SMILESO=C(NCc1ccccc1)Nn1ncc2ccccc21
InChIInChI=1S/C15H14N4O/c20-15(16-10-12-6-2-1-3-7-12)18-19-14-9-5-4-8-13(14)11-17-19/h1-9,11H,10H2,(H2,16,18,20)
InChIKeyOGSDRYXEYHFOSY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.49
Rot. Bonds3

About 1-benzyl-3-indazol-1-ylurea

1-benzyl-3-indazol-1-ylurea (PubChem CID 91271195) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-benzyl-3-indazol-1-ylurea.

Molecular Properties

Compound Name1-benzyl-3-indazol-1-ylurea
PubChem CID91271195
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-benzyl-3-indazol-1-ylurea
SMILESO=C(NCc1ccccc1)Nn1ncc2ccccc21
InChIInChI=1S/C15H14N4O/c20-15(16-10-12-6-2-1-3-7-12)18-19-14-9-5-4-8-13(14)11-17-19/h1-9,11H,10H2,(H2,16,18,20)
InChIKeyOGSDRYXEYHFOSY-UHFFFAOYSA-N
XLogP2.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-indazol-1-ylurea?
The IUPAC name of 1-benzyl-3-indazol-1-ylurea (CID 91271195) is 1-benzyl-3-indazol-1-ylurea.
What is the SMILES notation for 1-benzyl-3-indazol-1-ylurea?
The canonical SMILES for 1-benzyl-3-indazol-1-ylurea is O=C(NCc1ccccc1)Nn1ncc2ccccc21.
What is the InChIKey of 1-benzyl-3-indazol-1-ylurea?
The InChIKey is OGSDRYXEYHFOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(16-10-12-6-2-1-3-7-12)18-19-14-9-5-4-8-13(14)11-17-19/h1-9,11H,10H2,(H2,16,18,20).
What are the key properties of 1-benzyl-3-indazol-1-ylurea?
1-benzyl-3-indazol-1-ylurea has a molecular weight of 266.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-indazol-1-ylurea is sourced from PubChem (CID 91271195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).