3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol

C12H18N2O — CID 107383609

IUPAC3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol
SMILESCn1ccc(CC2=CC(O)CCCC2)n1
InChIInChI=1S/C12H18N2O/c1-14-7-6-11(13-14)8-10-4-2-3-5-12(15)9-10/h6-7,9,12,15H,2-5,8H2,1H3
InChIKeyFMGZPEIHMDRRQU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.82
Rot. Bonds2

About 3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol

3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol (PubChem CID 107383609) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol
PubChem CID107383609
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol
SMILESCn1ccc(CC2=CC(O)CCCC2)n1
InChIInChI=1S/C12H18N2O/c1-14-7-6-11(13-14)8-10-4-2-3-5-12(15)9-10/h6-7,9,12,15H,2-5,8H2,1H3
InChIKeyFMGZPEIHMDRRQU-UHFFFAOYSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol (CID 107383609) is 3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol is Cn1ccc(CC2=CC(O)CCCC2)n1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol?
The InChIKey is FMGZPEIHMDRRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-6-11(13-14)8-10-4-2-3-5-12(15)9-10/h6-7,9,12,15H,2-5,8H2,1H3.
What are the key properties of 3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol?
3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol is sourced from PubChem (CID 107383609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).