1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea

C13H14N4O2 — CID 61347792

IUPAC1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C13H14N4O2/c1-9(18)11-2-4-12(5-3-11)17-13(19)14-6-10-7-15-16-8-10/h2-5,7-8H,6H2,1H3,(H,15,16)(H2,14,17,19)
InChIKeyKKNDBINFAGHDOZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.93
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea

1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea (PubChem CID 61347792) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
PubChem CID61347792
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C13H14N4O2/c1-9(18)11-2-4-12(5-3-11)17-13(19)14-6-10-7-15-16-8-10/h2-5,7-8H,6H2,1H3,(H,15,16)(H2,14,17,19)
InChIKeyKKNDBINFAGHDOZ-UHFFFAOYSA-N
XLogP1.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
CID 135223318
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
1-[4-(4-chlorophenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223401
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-[4-(2-methylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223269
1-[4-[cyclopentyl(methyl)amino]sulfanylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135231291
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 60765071
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea
CID 104580537
1-[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135231070

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea (CID 61347792) is 1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea is CC(=O)c1ccc(NC(=O)NCc2cn[nH]c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea?
The InChIKey is KKNDBINFAGHDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(18)11-2-4-12(5-3-11)17-13(19)14-6-10-7-15-16-8-10/h2-5,7-8H,6H2,1H3,(H,15,16)(H2,14,17,19).
What are the key properties of 1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea?
1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea has a molecular weight of 258.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea is sourced from PubChem (CID 61347792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).