1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide

C24H23N5O3S — CID 161462862

IUPAC1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide
SMILESCCn1cc(-c2cccc(NC(=O)Nc3cccc(C)c3)c2)c(-c2ccncc2)n1.O=S=O
InChIInChI=1S/C24H23N5O.O2S/c1-3-29-16-22(23(28-29)18-10-12-25-13-11-18)19-7-5-9-21(15-19)27-24(30)26-20-8-4-6-17(2)14-20;1-3-2/h4-16H,3H2,1-2H3,(H2,26,27,30);
InChIKeyWCAVQWRDNZHTBF-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.91
Rot. Bonds5

About 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide

1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide (PubChem CID 161462862) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide.

Molecular Properties

Compound Name1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide
PubChem CID161462862
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide
SMILESCCn1cc(-c2cccc(NC(=O)Nc3cccc(C)c3)c2)c(-c2ccncc2)n1.O=S=O
InChIInChI=1S/C24H23N5O.O2S/c1-3-29-16-22(23(28-29)18-10-12-25-13-11-18)19-7-5-9-21(15-19)27-24(30)26-20-8-4-6-17(2)14-20;1-3-2/h4-16H,3H2,1-2H3,(H2,26,27,30);
InChIKeyWCAVQWRDNZHTBF-UHFFFAOYSA-N
XLogP4.91
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea
CID 66547839
1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 44622811
1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea
CID 88948710
1-[4-[1-ethyl-4-(1H-pyrrol-3-yl)pyrazol-3-yl]phenyl]-3-phenylurea
CID 141182269
1-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-pyridin-4-ylurea
CID 58980040
4-[1-ethyl-3-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 86626184
2-[[4-ethyl-5-(1-methyl-3-phenylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 53127880
1-cyclohexyl-3-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]urea
CID 44587528
1-ethyl-3-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 20848730
N-(3-methylphenyl)-1-[4-[5-[(3-methylphenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497589
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-[3-[4-[2-[4-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-3-phenylurea
CID 25025889

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide?
The IUPAC name of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide (CID 161462862) is 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide.
What is the SMILES notation for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide?
The canonical SMILES for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide is CCn1cc(-c2cccc(NC(=O)Nc3cccc(C)c3)c2)c(-c2ccncc2)n1.O=S=O.
What is the InChIKey of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide?
The InChIKey is WCAVQWRDNZHTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O.O2S/c1-3-29-16-22(23(28-29)18-10-12-25-13-11-18)19-7-5-9-21(15-19)27-24(30)26-20-8-4-6-17(2)14-20;1-3-2/h4-16H,3H2,1-2H3,(H2,26,27,30);.
What are the key properties of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide?
1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide has a molecular weight of 461.55 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide is sourced from PubChem (CID 161462862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).