1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea

C18H16Cl2N4O2 — CID 980623

IUPAC1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
SMILESCc1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H16Cl2N4O2/c1-11-16(17(25)24(23(11)2)13-6-4-3-5-7-13)22-18(26)21-12-8-9-14(19)15(20)10-12/h3-10H,1-2H3,(H2,21,22,26)
InChIKeyULYXUTSWRUHJJI-UHFFFAOYSA-N
MW391.26 g/mol
LogP4.44
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea

1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea (PubChem CID 980623) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
PubChem CID980623
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC Name1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
SMILESCc1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H16Cl2N4O2/c1-11-16(17(25)24(23(11)2)13-6-4-3-5-7-13)22-18(26)21-12-8-9-14(19)15(20)10-12/h3-10H,1-2H3,(H2,21,22,26)
InChIKeyULYXUTSWRUHJJI-UHFFFAOYSA-N
XLogP4.44
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea (CID 980623) is 1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea is Cc1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
The InChIKey is ULYXUTSWRUHJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-11-16(17(25)24(23(11)2)13-6-4-3-5-7-13)22-18(26)21-12-8-9-14(19)15(20)10-12/h3-10H,1-2H3,(H2,21,22,26).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea?
1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea has a molecular weight of 391.26 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 980623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).