1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea

C15H18N4O2 — CID 39742337

IUPAC1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
SMILESCCn1nc(C)cc1NC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H18N4O2/c1-4-19-14(8-10(2)18-19)17-15(21)16-13-7-5-6-12(9-13)11(3)20/h5-9H,4H2,1-3H3,(H2,16,17,21)
InChIKeySOYCHBHDGHIIBH-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.06
Rot. Bonds4

About 1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea

1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea (PubChem CID 39742337) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
PubChem CID39742337
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
SMILESCCn1nc(C)cc1NC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H18N4O2/c1-4-19-14(8-10(2)18-19)17-15(21)16-13-7-5-6-12(9-13)11(3)20/h5-9H,4H2,1-3H3,(H2,16,17,21)
InChIKeySOYCHBHDGHIIBH-UHFFFAOYSA-N
XLogP3.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 35766434
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CID 45284642
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea
CID 9267921
N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
CID 16877058
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47363703
N-(2-ethyl-5-methylpyrazol-3-yl)-3-nitrobenzamide
CID 45284644
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
N-(3-acetylphenyl)propanamide
CID 903063
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea (CID 39742337) is 1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea is CCn1nc(C)cc1NC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea?
The InChIKey is SOYCHBHDGHIIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-19-14(8-10(2)18-19)17-15(21)16-13-7-5-6-12(9-13)11(3)20/h5-9H,4H2,1-3H3,(H2,16,17,21).
What are the key properties of 1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea?
1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea has a molecular weight of 286.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea is sourced from PubChem (CID 39742337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).