1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

C15H18N4O2 — CID 45147173

IUPAC1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NC(C)c2cnn(C)c2)c1
InChIInChI=1S/C15H18N4O2/c1-10(13-8-16-19(3)9-13)17-15(21)18-14-6-4-5-12(7-14)11(2)20/h4-10H,1-3H3,(H2,17,18,21)
InChIKeyZPXGNZMSSADSJF-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.51
Rot. Bonds4

About 1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 45147173) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID45147173
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NC(C)c2cnn(C)c2)c1
InChIInChI=1S/C15H18N4O2/c1-10(13-8-16-19(3)9-13)17-15(21)18-14-6-4-5-12(7-14)11(2)20/h4-10H,1-3H3,(H2,17,18,21)
InChIKeyZPXGNZMSSADSJF-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea
CID 52509642
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
CID 146129464
methyl 4-methyl-3-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]carbamoylamino]benzoate
CID 125130711
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
1-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 75374593
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97218514
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 94819026
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153652
tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate
CID 107239819
1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
CID 86987830

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 45147173) is 1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is CC(=O)c1cccc(NC(=O)NC(C)c2cnn(C)c2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is ZPXGNZMSSADSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(13-8-16-19(3)9-13)17-15(21)18-14-6-4-5-12(7-14)11(2)20/h4-10H,1-3H3,(H2,17,18,21).
What are the key properties of 1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 286.34 g/mol, XLogP of 2.51, 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-[1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 45147173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).