1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea

C13H14N4O2 — CID 63818723

IUPAC1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cc(C)[nH]n2)c1
InChIInChI=1S/C13H14N4O2/c1-8-6-12(17-16-8)15-13(19)14-11-5-3-4-10(7-11)9(2)18/h3-7H,1-2H3,(H3,14,15,16,17,19)
InChIKeyLUOIVDHQDJGKPW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.56
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea

1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea (PubChem CID 63818723) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
PubChem CID63818723
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cc(C)[nH]n2)c1
InChIInChI=1S/C13H14N4O2/c1-8-6-12(17-16-8)15-13(19)14-11-5-3-4-10(7-11)9(2)18/h3-7H,1-2H3,(H3,14,15,16,17,19)
InChIKeyLUOIVDHQDJGKPW-UHFFFAOYSA-N
XLogP2.56
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 99835736
1-[3-[[(S)-tert-butylsulfinyl]methyl]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 99835815
N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
CID 778152
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylurea
CID 3699828
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
methyl 2-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)carbamoylamino]benzoate
CID 166226359
1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 104620440
N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110463355
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
1-(3-acetylphenyl)-3-(1,2,4-triazin-3-yl)urea
CID 114389178
2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea (CID 63818723) is 1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea is CC(=O)c1cccc(NC(=O)Nc2cc(C)[nH]n2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
The InChIKey is LUOIVDHQDJGKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-6-12(17-16-8)15-13(19)14-11-5-3-4-10(7-11)9(2)18/h3-7H,1-2H3,(H3,14,15,16,17,19).
What are the key properties of 1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea has a molecular weight of 258.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 63818723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).