1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea

C17H16N4O — CID 2819938

IUPAC1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea
SMILESCn1ccc(-c2cccc(NC(=O)Nc3ccccc3)c2)n1
InChIInChI=1S/C17H16N4O/c1-21-11-10-16(20-21)13-6-5-9-15(12-13)19-17(22)18-14-7-3-2-4-8-14/h2-12H,1H3,(H2,18,19,22)
InChIKeyJESFUBYEPPFHBK-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.73
Rot. Bonds3

About 1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea

1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea (PubChem CID 2819938) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea
PubChem CID2819938
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea
SMILESCn1ccc(-c2cccc(NC(=O)Nc3ccccc3)c2)n1
InChIInChI=1S/C17H16N4O/c1-21-11-10-16(20-21)13-6-5-9-15(12-13)19-17(22)18-14-7-3-2-4-8-14/h2-12H,1H3,(H2,18,19,22)
InChIKeyJESFUBYEPPFHBK-UHFFFAOYSA-N
XLogP3.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812808
1-[(4-fluorophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 22337693
1,3-diethyl-5-[1-(3-methylphenyl)-1H-pyrazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647075
1-(1h-Indazol-5-Yl)-3-(2-Phenylethyl)urea
CID 56596554
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
N-(3,5-dimethylphenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812810
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea
CID 6895242
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
N-(2,4-dimethylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016793
5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 1244086

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea (CID 2819938) is 1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea is Cn1ccc(-c2cccc(NC(=O)Nc3ccccc3)c2)n1.
What is the InChIKey of 1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea?
The InChIKey is JESFUBYEPPFHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21-11-10-16(20-21)13-6-5-9-15(12-13)19-17(22)18-14-7-3-2-4-8-14/h2-12H,1H3,(H2,18,19,22).
What are the key properties of 1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea?
1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea has a molecular weight of 292.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 2819938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).