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

C20H22N4O2 — CID 22430344

IUPAC1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C
InChIInChI=1S/C20H22N4O2/c1-13-9-8-12-17(14(13)2)21-20(26)22-18-15(3)23(4)24(19(18)25)16-10-6-5-7-11-16/h5-12H,1-4H3,(H2,21,22,26)
InChIKeyHZFKJTBADTVNNH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.75
Rot. Bonds3

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

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea (PubChem CID 22430344) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea
PubChem CID22430344
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C
InChIInChI=1S/C20H22N4O2/c1-13-9-8-12-17(14(13)2)21-20(26)22-18-15(3)23(4)24(19(18)25)16-10-6-5-7-11-16/h5-12H,1-4H3,(H2,21,22,26)
InChIKeyHZFKJTBADTVNNH-UHFFFAOYSA-N
XLogP3.75
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea?
The IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea (CID 22430344) is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea.
What is the SMILES notation for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea?
The canonical SMILES for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea is Cc1cccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C.
What is the InChIKey of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea?
The InChIKey is HZFKJTBADTVNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-9-8-12-17(14(13)2)21-20(26)22-18-15(3)23(4)24(19(18)25)16-10-6-5-7-11-16/h5-12H,1-4H3,(H2,21,22,26).
What are the key properties of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea?
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea has a molecular weight of 350.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,3-dimethylphenyl)urea is sourced from PubChem (CID 22430344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).