1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea

C17H16N4O2 — CID 27234834

IUPAC1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea
SMILESCC1=NN(c2ccc(NC(=O)Nc3ccccc3)cc2)C(=O)C1
InChIInChI=1S/C17H16N4O2/c1-12-11-16(22)21(20-12)15-9-7-14(8-10-15)19-17(23)18-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,23)
InChIKeyVXZXRJQHAWIPLN-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.44
Rot. Bonds3

About 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea

1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea (PubChem CID 27234834) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea
PubChem CID27234834
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea
SMILESCC1=NN(c2ccc(NC(=O)Nc3ccccc3)cc2)C(=O)C1
InChIInChI=1S/C17H16N4O2/c1-12-11-16(22)21(20-12)15-9-7-14(8-10-15)19-17(23)18-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,23)
InChIKeyVXZXRJQHAWIPLN-UHFFFAOYSA-N
XLogP3.44
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea (CID 27234834) is 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea is CC1=NN(c2ccc(NC(=O)Nc3ccccc3)cc2)C(=O)C1.
What is the InChIKey of 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea?
The InChIKey is VXZXRJQHAWIPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-11-16(22)21(20-12)15-9-7-14(8-10-15)19-17(23)18-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,23).
What are the key properties of 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea?
1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea has a molecular weight of 308.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 27234834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).