cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C16H20N2O — CID 3078480

IUPACcyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(C1CCCCC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H20N2O/c19-16(14-9-5-2-6-10-14)18-15(11-12-17-18)13-7-3-1-4-8-13/h1,3-4,7-8,12,14-15H,2,5-6,9-11H2
InChIKeyMUQJZMRWJDLBIO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.53
Rot. Bonds2

About cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 3078480) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID3078480
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Namecyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(C1CCCCC1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H20N2O/c19-16(14-9-5-2-6-10-14)18-15(11-12-17-18)13-7-3-1-4-8-13/h1,3-4,7-8,12,14-15H,2,5-6,9-11H2
InChIKeyMUQJZMRWJDLBIO-UHFFFAOYSA-N
XLogP3.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 3078480) is cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(C1CCCCC1)N1N=CCC1c1ccccc1.
What is the InChIKey of cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is MUQJZMRWJDLBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(14-9-5-2-6-10-14)18-15(11-12-17-18)13-7-3-1-4-8-13/h1,3-4,7-8,12,14-15H,2,5-6,9-11H2.
What are the key properties of cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 3078480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).