1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea

C13H15ClN4O2 — CID 2811436

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cn(C)nc1C
InChIInChI=1S/C13H15ClN4O2/c1-8-11(7-18(2)17-8)16-13(19)15-10-6-9(14)4-5-12(10)20-3/h4-7H,1-3H3,(H2,15,16,19)
InChIKeyYZVGFGPJLQKRCI-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.03
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea (PubChem CID 2811436) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea
PubChem CID2811436
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cn(C)nc1C
InChIInChI=1S/C13H15ClN4O2/c1-8-11(7-18(2)17-8)16-13(19)15-10-6-9(14)4-5-12(10)20-3/h4-7H,1-3H3,(H2,15,16,19)
InChIKeyYZVGFGPJLQKRCI-UHFFFAOYSA-N
XLogP3.03
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea (CID 2811436) is 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea is COc1ccc(Cl)cc1NC(=O)Nc1cn(C)nc1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea?
The InChIKey is YZVGFGPJLQKRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-8-11(7-18(2)17-8)16-13(19)15-10-6-9(14)4-5-12(10)20-3/h4-7H,1-3H3,(H2,15,16,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea has a molecular weight of 294.74 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea is sourced from PubChem (CID 2811436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).