cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone

C17H22N2O2 — CID 6461275

IUPACcyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)C2CCCCC2)C(O)(c2ccccc2)C1
InChIInChI=1S/C17H22N2O2/c1-13-12-17(21,15-10-6-3-7-11-15)19(18-13)16(20)14-8-4-2-5-9-14/h3,6-7,10-11,14,21H,2,4-5,8-9,12H2,1H3
InChIKeyHHJJNVJBSMDKAX-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.02
Rot. Bonds2

About cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone

cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone (PubChem CID 6461275) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
PubChem CID6461275
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Namecyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)C2CCCCC2)C(O)(c2ccccc2)C1
InChIInChI=1S/C17H22N2O2/c1-13-12-17(21,15-10-6-3-7-11-15)19(18-13)16(20)14-8-4-2-5-9-14/h3,6-7,10-11,14,21H,2,4-5,8-9,12H2,1H3
InChIKeyHHJJNVJBSMDKAX-UHFFFAOYSA-N
XLogP3.02
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The IUPAC name of cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone (CID 6461275) is cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone is CC1=NN(C(=O)C2CCCCC2)C(O)(c2ccccc2)C1.
What is the InChIKey of cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
The InChIKey is HHJJNVJBSMDKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-12-17(21,15-10-6-3-7-11-15)19(18-13)16(20)14-8-4-2-5-9-14/h3,6-7,10-11,14,21H,2,4-5,8-9,12H2,1H3.
What are the key properties of cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone?
cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone has a molecular weight of 286.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 6461275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).