1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea

C20H20N4O2 — CID 35274053

IUPAC1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)c1
InChIInChI=1S/C20H20N4O2/c1-14-6-3-4-7-17(14)13-24-11-10-19(23-24)22-20(26)21-18-9-5-8-16(12-18)15(2)25/h3-12H,13H2,1-2H3,(H2,21,22,23,26)
InChIKeyMKTUXSQRKZZCIX-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.09
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea

1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea (PubChem CID 35274053) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
PubChem CID35274053
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)c1
InChIInChI=1S/C20H20N4O2/c1-14-6-3-4-7-17(14)13-24-11-10-19(23-24)22-20(26)21-18-9-5-8-16(12-18)15(2)25/h3-12H,13H2,1-2H3,(H2,21,22,23,26)
InChIKeyMKTUXSQRKZZCIX-UHFFFAOYSA-N
XLogP4.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 19405696
1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274063
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284921
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
CID 35274045
2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 17088770
3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284828
N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368581
4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046836
1-(2-methylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 17382761

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea (CID 35274053) is 1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea is CC(=O)c1cccc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea?
The InChIKey is MKTUXSQRKZZCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-6-3-4-7-17(14)13-24-11-10-19(23-24)22-20(26)21-18-9-5-8-16(12-18)15(2)25/h3-12H,13H2,1-2H3,(H2,21,22,23,26).
What are the key properties of 1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea?
1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea has a molecular weight of 348.41 g/mol, XLogP of 4.09, 5 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-[(2-methylphenyl)methyl]pyrazol-3-yl]urea is sourced from PubChem (CID 35274053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).