1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea

C19H18Cl2N4O — CID 2807999

IUPAC1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
SMILESCCCc1c(NC(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C19H18Cl2N4O/c1-2-6-18-17(12-22-25(18)14-7-4-3-5-8-14)24-19(26)23-16-10-9-13(20)11-15(16)21/h3-5,7-12H,2,6H2,1H3,(H2,23,24,26)
InChIKeyJMIZIAKUBBDMRO-UHFFFAOYSA-N
MW389.29 g/mol
LogP5.78
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea

1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea (PubChem CID 2807999) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
PubChem CID2807999
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
SMILESCCCc1c(NC(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C19H18Cl2N4O/c1-2-6-18-17(12-22-25(18)14-7-4-3-5-8-14)24-19(26)23-16-10-9-13(20)11-15(16)21/h3-5,7-12H,2,6H2,1H3,(H2,23,24,26)
InChIKeyJMIZIAKUBBDMRO-UHFFFAOYSA-N
XLogP5.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea (CID 2807999) is 1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea is CCCc1c(NC(=O)Nc2ccc(Cl)cc2Cl)cnn1-c1ccccc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea?
The InChIKey is JMIZIAKUBBDMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-2-6-18-17(12-22-25(18)14-7-4-3-5-8-14)24-19(26)23-16-10-9-13(20)11-15(16)21/h3-5,7-12H,2,6H2,1H3,(H2,23,24,26).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea?
1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea has a molecular weight of 389.29 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea is sourced from PubChem (CID 2807999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).