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

C11H12N4O — CID 2807714

IUPAC1-(1-methylpyrazol-3-yl)-3-phenylurea
SMILESCn1ccc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C11H12N4O/c1-15-8-7-10(14-15)13-11(16)12-9-5-3-2-4-6-9/h2-8H,1H3,(H2,12,13,14,16)
InChIKeyIUUWNFGQOFOLOE-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.06
Rot. Bonds2

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

1-(1-methylpyrazol-3-yl)-3-phenylurea (PubChem CID 2807714) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-phenylurea
PubChem CID2807714
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(1-methylpyrazol-3-yl)-3-phenylurea
SMILESCn1ccc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C11H12N4O/c1-15-8-7-10(14-15)13-11(16)12-9-5-3-2-4-6-9/h2-8H,1H3,(H2,12,13,14,16)
InChIKeyIUUWNFGQOFOLOE-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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Related Compounds

CID 70006
CID 70006
CID 9361722
CID 9361722
CID 594320
CID 594320
CID 2808767
CID 2808767
CID 2808768
CID 2808768
CID 594242
CID 594242
CID 2807713
CID 2807713
CID 2808860
CID 2808860
CID 2808865
CID 2808865
CID 2818791
CID 2818791
CID 970792
CID 970792
CID 2811751
CID 2811751

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-phenylurea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-phenylurea (CID 2807714) is 1-(1-methylpyrazol-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-phenylurea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-phenylurea is Cn1ccc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-phenylurea?
The InChIKey is IUUWNFGQOFOLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-8-7-10(14-15)13-11(16)12-9-5-3-2-4-6-9/h2-8H,1H3,(H2,12,13,14,16).
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-phenylurea?
1-(1-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-(1-methylpyrazol-3-yl)-3-phenylurea is sourced from PubChem (CID 2807714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).