1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea

C24H24N6O3S — CID 66547839

IUPAC1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea
SMILESCCn1cc(-c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NC)cc3)c2)c(-c2ccncc2)n1
InChIInChI=1S/C24H24N6O3S/c1-3-30-16-22(23(29-30)17-11-13-26-14-12-17)18-5-4-6-20(15-18)28-24(31)27-19-7-9-21(10-8-19)34(32,33)25-2/h4-16,25H,3H2,1-2H3,(H2,27,28,31)
InChIKeyBCRFFUUXNWNXOI-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.18
Rot. Bonds7

About 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea

1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea (PubChem CID 66547839) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea
PubChem CID66547839
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea
SMILESCCn1cc(-c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NC)cc3)c2)c(-c2ccncc2)n1
InChIInChI=1S/C24H24N6O3S/c1-3-30-16-22(23(29-30)17-11-13-26-14-12-17)18-5-4-6-20(15-18)28-24(31)27-19-7-9-21(10-8-19)34(32,33)25-2/h4-16,25H,3H2,1-2H3,(H2,27,28,31)
InChIKeyBCRFFUUXNWNXOI-UHFFFAOYSA-N
XLogP4.18
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide
CID 161462862
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
4-[1-ethyl-3-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 86626184
1-[4-[1-ethyl-4-(1H-pyrrol-3-yl)pyrazol-3-yl]phenyl]-3-phenylurea
CID 141182269
1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 2954248
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
N-[3-[5-(benzenesulfonyl)-4-[1-ethyl-3-[4-(ethylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]acetamide
CID 90703597
1-[4-[1-ethyl-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46888684
1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
CID 53499866
1-cyclohexyl-3-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]urea
CID 44587528
1-[3-[1-[2-(oxan-2-yloxy)ethyl]-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 67184338

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea?
The IUPAC name of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea (CID 66547839) is 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea is CCn1cc(-c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NC)cc3)c2)c(-c2ccncc2)n1.
What is the InChIKey of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea?
The InChIKey is BCRFFUUXNWNXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-3-30-16-22(23(29-30)17-11-13-26-14-12-17)18-5-4-6-20(15-18)28-24(31)27-19-7-9-21(10-8-19)34(32,33)25-2/h4-16,25H,3H2,1-2H3,(H2,27,28,31).
What are the key properties of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea?
1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea has a molecular weight of 476.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 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-[4-(methylsulfamoyl)phenyl]urea is sourced from PubChem (CID 66547839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).