1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea

C21H19N5O — CID 11428281

IUPAC1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea
SMILESCc1cccc(NC(=O)Nc2cnn(-c3ccccc3)c2-n2cccc2)c1
InChIInChI=1S/C21H19N5O/c1-16-8-7-9-17(14-16)23-21(27)24-19-15-22-26(18-10-3-2-4-11-18)20(19)25-12-5-6-13-25/h2-15H,1H3,(H2,23,24,27)
InChIKeyZUJMOEMEMZLDIV-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.62
Rot. Bonds4

About 1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea

1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea (PubChem CID 11428281) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea
PubChem CID11428281
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea
SMILESCc1cccc(NC(=O)Nc2cnn(-c3ccccc3)c2-n2cccc2)c1
InChIInChI=1S/C21H19N5O/c1-16-8-7-9-17(14-16)23-21(27)24-19-15-22-26(18-10-3-2-4-11-18)20(19)25-12-5-6-13-25/h2-15H,1H3,(H2,23,24,27)
InChIKeyZUJMOEMEMZLDIV-UHFFFAOYSA-N
XLogP4.62
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936768
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984
N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915052
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea (CID 11428281) is 1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea is Cc1cccc(NC(=O)Nc2cnn(-c3ccccc3)c2-n2cccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea?
The InChIKey is ZUJMOEMEMZLDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-16-8-7-9-17(14-16)23-21(27)24-19-15-22-26(18-10-3-2-4-11-18)20(19)25-12-5-6-13-25/h2-15H,1H3,(H2,23,24,27).
What are the key properties of 1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea?
1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea has a molecular weight of 357.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea is sourced from PubChem (CID 11428281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).