1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea

C16H14N4O — CID 2822812

IUPAC1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea
SMILESO=C(Nc1ccccc1)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C16H14N4O/c21-16(17-13-9-5-2-6-10-13)18-15-11-14(19-20-15)12-7-3-1-4-8-12/h1-11H,(H3,17,18,19,20,21)
InChIKeyXTXUYKRTCOLTHN-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.72
Rot. Bonds3

About 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea

1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea (PubChem CID 2822812) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea
PubChem CID2822812
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea
SMILESO=C(Nc1ccccc1)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C16H14N4O/c21-16(17-13-9-5-2-6-10-13)18-15-11-14(19-20-15)12-7-3-1-4-8-12/h1-11H,(H3,17,18,19,20,21)
InChIKeyXTXUYKRTCOLTHN-UHFFFAOYSA-N
XLogP3.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea (CID 2822812) is 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea is O=C(Nc1ccccc1)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea?
The InChIKey is XTXUYKRTCOLTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(17-13-9-5-2-6-10-13)18-15-11-14(19-20-15)12-7-3-1-4-8-12/h1-11H,(H3,17,18,19,20,21).
What are the key properties of 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea?
1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea has a molecular weight of 278.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(5-phenyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 2822812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).