1-(2-methylpyrazol-3-yl)-3-phenylurea

C11H12N4O — CID 2808767

IUPAC1-(2-methylpyrazol-3-yl)-3-phenylurea
SMILESCn1nccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C11H12N4O/c1-15-10(7-8-12-15)14-11(16)13-9-5-3-2-4-6-9/h2-8H,1H3,(H2,13,14,16)
InChIKeyDIQHXPDQFAFOPY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.06
Rot. Bonds2

About 1-(2-methylpyrazol-3-yl)-3-phenylurea

1-(2-methylpyrazol-3-yl)-3-phenylurea (PubChem CID 2808767) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-phenylurea
PubChem CID2808767
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(2-methylpyrazol-3-yl)-3-phenylurea
SMILESCn1nccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C11H12N4O/c1-15-10(7-8-12-15)14-11(16)13-9-5-3-2-4-6-9/h2-8H,1H3,(H2,13,14,16)
InChIKeyDIQHXPDQFAFOPY-UHFFFAOYSA-N
XLogP2.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-phenylurea?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-phenylurea (CID 2808767) is 1-(2-methylpyrazol-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-phenylurea?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-phenylurea is Cn1nccc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-phenylurea?
The InChIKey is DIQHXPDQFAFOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-10(7-8-12-15)14-11(16)13-9-5-3-2-4-6-9/h2-8H,1H3,(H2,13,14,16).
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-phenylurea?
1-(2-methylpyrazol-3-yl)-3-phenylurea has a molecular weight of 216.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-phenylurea is sourced from PubChem (CID 2808767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).