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

C18H18N4O2 — CID 735751

IUPAC1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea
SMILESCc1c(NC(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H18N4O2/c1-13-16(20-18(24)19-14-9-5-3-6-10-14)17(23)22(21(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H2,19,20,24)
InChIKeyMHDYKXPQKDDFFZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.13
Rot. Bonds3

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

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea (PubChem CID 735751) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea
PubChem CID735751
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea
SMILESCc1c(NC(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H18N4O2/c1-13-16(20-18(24)19-14-9-5-3-6-10-14)17(23)22(21(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H2,19,20,24)
InChIKeyMHDYKXPQKDDFFZ-UHFFFAOYSA-N
XLogP3.13
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.13
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-phenylurea?
The IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea (CID 735751) is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea.
What is the SMILES notation for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea?
The canonical SMILES for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea is Cc1c(NC(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea?
The InChIKey is MHDYKXPQKDDFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-16(20-18(24)19-14-9-5-3-6-10-14)17(23)22(21(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H2,19,20,24).
What are the key properties of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea?
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea has a molecular weight of 322.37 g/mol, XLogP of 3.13, 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-phenylurea is sourced from PubChem (CID 735751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).