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

C14H16N4O2 — CID 82874851

IUPAC1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCc2ccn(C)n2)cc1
InChIInChI=1S/C14H16N4O2/c1-10(19)11-3-5-12(6-4-11)16-14(20)15-9-13-7-8-18(2)17-13/h3-8H,9H2,1-2H3,(H2,15,16,20)
InChIKeyDPBIKUAGWQITIV-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.94
Rot. Bonds4

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

1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea (PubChem CID 82874851) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea
PubChem CID82874851
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCc2ccn(C)n2)cc1
InChIInChI=1S/C14H16N4O2/c1-10(19)11-3-5-12(6-4-11)16-14(20)15-9-13-7-8-18(2)17-13/h3-8H,9H2,1-2H3,(H2,15,16,20)
InChIKeyDPBIKUAGWQITIV-UHFFFAOYSA-N
XLogP1.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminoethyl)phenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea
CID 82875331
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea
CID 104580537
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 60765071
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
1-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 82842996
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 82873391
2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide
CID 82873706
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanedioic acid
CID 82874207
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
CID 61347792

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea (CID 82874851) is 1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea is CC(=O)c1ccc(NC(=O)NCc2ccn(C)n2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea?
The InChIKey is DPBIKUAGWQITIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10(19)11-3-5-12(6-4-11)16-14(20)15-9-13-7-8-18(2)17-13/h3-8H,9H2,1-2H3,(H2,15,16,20).
What are the key properties of 1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea?
1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea has a molecular weight of 272.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 82874851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).