cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol

C14H22N2O2 — CID 106651334

IUPACcyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
SMILESCOc1c(C(O)C2=CCCCCC2)c(C)nn1C
InChIInChI=1S/C14H22N2O2/c1-10-12(14(18-3)16(2)15-10)13(17)11-8-6-4-5-7-9-11/h8,13,17H,4-7,9H2,1-3H3
InChIKeyOJNFSUNGABHIRI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.66
Rot. Bonds3

About cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol

cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 106651334) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Namecyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
PubChem CID106651334
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namecyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
SMILESCOc1c(C(O)C2=CCCCCC2)c(C)nn1C
InChIInChI=1S/C14H22N2O2/c1-10-12(14(18-3)16(2)15-10)13(17)11-8-6-4-5-7-9-11/h8,13,17H,4-7,9H2,1-3H3
InChIKeyOJNFSUNGABHIRI-UHFFFAOYSA-N
XLogP2.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol (CID 106651334) is cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol is COc1c(C(O)C2=CCCCCC2)c(C)nn1C.
What is the InChIKey of cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is OJNFSUNGABHIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-12(14(18-3)16(2)15-10)13(17)11-8-6-4-5-7-9-11/h8,13,17H,4-7,9H2,1-3H3.
What are the key properties of cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 250.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 106651334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).