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

C16H22N4O2 — CID 735657

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C16H22N4O2/c1-5-19(6-2)16(22)17-14-12(3)18(4)20(15(14)21)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3,(H,17,22)
InChIKeyHLOCBEUFTPFQMW-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.36
Rot. Bonds4

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

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea (PubChem CID 735657) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea
PubChem CID735657
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C16H22N4O2/c1-5-19(6-2)16(22)17-14-12(3)18(4)20(15(14)21)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3,(H,17,22)
InChIKeyHLOCBEUFTPFQMW-UHFFFAOYSA-N
XLogP2.36
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea (CID 735657) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea is CCN(CC)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea?
The InChIKey is HLOCBEUFTPFQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-5-19(6-2)16(22)17-14-12(3)18(4)20(15(14)21)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3,(H,17,22).
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea has a molecular weight of 302.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diethylurea is sourced from PubChem (CID 735657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).