1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea

C11H11ClN4O — CID 2807713

IUPAC1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4O/c1-16-7-6-10(15-16)14-11(17)13-9-4-2-8(12)3-5-9/h2-7H,1H3,(H2,13,14,15,17)
InChIKeyIASQZEWVUDVHNO-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.72
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea

1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea (PubChem CID 2807713) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea
PubChem CID2807713
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4O/c1-16-7-6-10(15-16)14-11(17)13-9-4-2-8(12)3-5-9/h2-7H,1H3,(H2,13,14,15,17)
InChIKeyIASQZEWVUDVHNO-UHFFFAOYSA-N
XLogP2.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea (CID 2807713) is 1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea is Cn1ccc(NC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is IASQZEWVUDVHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-7-6-10(15-16)14-11(17)13-9-4-2-8(12)3-5-9/h2-7H,1H3,(H2,13,14,15,17).
What are the key properties of 1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea?
1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 250.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 2807713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).