1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

C15H18N4O2 — CID 2206437

IUPAC1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H18N4O2/c1-9-14(10(2)19(4)18-9)17-15(21)16-13-7-5-6-12(8-13)11(3)20/h5-8H,1-4H3,(H2,16,17,21)
InChIKeyGIXALBXCDCEVAX-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.88
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 2206437) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID2206437
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H18N4O2/c1-9-14(10(2)19(4)18-9)17-15(21)16-13-7-5-6-12(8-13)11(3)20/h5-8H,1-4H3,(H2,16,17,21)
InChIKeyGIXALBXCDCEVAX-UHFFFAOYSA-N
XLogP2.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 747498
N-[3-(trifluoromethyl)phenyl]-N'-(1,3,5-trimethyl-1H-pyrazol-4-yl)urea
CID 970204
N-(4-benzoylphenyl)-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 850775
2-[(anilinocarbonyl)amino]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzamide
CID 2805552
1-(3-aminophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone
CID 3758949
N-(3-acetylphenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 20861290
N-(3,5-dimethylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 5068387
N-(3-acetylphenyl)-2-(3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
CID 1129764
1-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]-3-propylpyrazole-5-carboxamide
CID 118726887
N-(3-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 1113748
1-(3-Acetylphenyl)-3-(1-(4-fluorobenzyl)-1H-pyrazol-4-yl)urea
CID 2211672
US9598423, Example 120
CID 118062576

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 2206437) is 1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is CC(=O)c1cccc(NC(=O)Nc2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is GIXALBXCDCEVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-14(10(2)19(4)18-9)17-15(21)16-13-7-5-6-12(8-13)11(3)20/h5-8H,1-4H3,(H2,16,17,21).
What are the key properties of 1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 286.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 2206437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).