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

C20H22N4O2 — CID 15989506

IUPAC1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H22N4O2/c1-4-15-10-8-9-13-17(15)21-20(26)22-18-14(2)23(3)24(19(18)25)16-11-6-5-7-12-16/h5-13H,4H2,1-3H3,(H2,21,22,26)
InChIKeyGEASTAWEGIFMGD-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.69
Rot. Bonds4

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

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea (PubChem CID 15989506) 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-ethylphenyl)urea.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea
PubChem CID15989506
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H22N4O2/c1-4-15-10-8-9-13-17(15)21-20(26)22-18-14(2)23(3)24(19(18)25)16-11-6-5-7-12-16/h5-13H,4H2,1-3H3,(H2,21,22,26)
InChIKeyGEASTAWEGIFMGD-UHFFFAOYSA-N
XLogP3.69
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.69
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-ethylphenyl)urea?
The IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea (CID 15989506) is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea?
The InChIKey is GEASTAWEGIFMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-15-10-8-9-13-17(15)21-20(26)22-18-14(2)23(3)24(19(18)25)16-11-6-5-7-12-16/h5-13H,4H2,1-3H3,(H2,21,22,26).
What are the key properties of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea?
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-ethylphenyl)urea has a molecular weight of 350.42 g/mol, XLogP of 3.69, 4 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-ethylphenyl)urea is sourced from PubChem (CID 15989506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).