5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one

C15H18N2O — CID 713719

IUPAC5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccc(C3CCCCC3)cc2)[nH][nH]1
InChIInChI=1S/C15H18N2O/c18-15-10-14(16-17-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,16,17,18)
InChIKeyUPDLUMMMYBRYMJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.42
Rot. Bonds2

About 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one

5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one (PubChem CID 713719) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one
PubChem CID713719
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccc(C3CCCCC3)cc2)[nH][nH]1
InChIInChI=1S/C15H18N2O/c18-15-10-14(16-17-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,16,17,18)
InChIKeyUPDLUMMMYBRYMJ-UHFFFAOYSA-N
XLogP3.42
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one (CID 713719) is 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one is O=c1cc(-c2ccc(C3CCCCC3)cc2)[nH][nH]1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is UPDLUMMMYBRYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15-10-14(16-17-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,16,17,18).
What are the key properties of 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one?
5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 242.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 713719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).