1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

C19H20N4O — CID 108813110

IUPAC1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2cc(-c3ccccc3)n(C)n2)c1
InChIInChI=1S/C19H20N4O/c1-13-9-14(2)11-16(10-13)20-19(24)21-18-12-17(23(3)22-18)15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,20,21,22,24)
InChIKeyJQGGFWCMLWLXLL-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.35
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (PubChem CID 108813110) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
PubChem CID108813110
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2cc(-c3ccccc3)n(C)n2)c1
InChIInChI=1S/C19H20N4O/c1-13-9-14(2)11-16(10-13)20-19(24)21-18-12-17(23(3)22-18)15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,20,21,22,24)
InChIKeyJQGGFWCMLWLXLL-UHFFFAOYSA-N
XLogP4.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813156
1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108812972
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813006
1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813031
1-(1-methyl-5-phenylpyrazol-3-yl)-3-(2-nitrophenyl)urea
CID 108812854
1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813193
1-(2-cyanoethyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813212
4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108813013
6-[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]hexanoic acid
CID 108812931
1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea
CID 166293798
1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813072

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (CID 108813110) is 1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is Cc1cc(C)cc(NC(=O)Nc2cc(-c3ccccc3)n(C)n2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The InChIKey is JQGGFWCMLWLXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-9-14(2)11-16(10-13)20-19(24)21-18-12-17(23(3)22-18)15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,20,21,22,24).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea has a molecular weight of 320.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 108813110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).