cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine

C12H19N3 — CID 106657216

IUPACcyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)C2=CCCCC2)n(C)n1
InChIInChI=1S/C12H19N3/c1-9-8-11(15(2)14-9)12(13)10-6-4-3-5-7-10/h6,8,12H,3-5,7,13H2,1-2H3
InChIKeyZZHJDZUIBWXZAW-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.23
Rot. Bonds2

About cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine

cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine (PubChem CID 106657216) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine
PubChem CID106657216
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Namecyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)C2=CCCCC2)n(C)n1
InChIInChI=1S/C12H19N3/c1-9-8-11(15(2)14-9)12(13)10-6-4-3-5-7-10/h6,8,12H,3-5,7,13H2,1-2H3
InChIKeyZZHJDZUIBWXZAW-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methyl]hydrazine
CID 106650657
cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 106657140
[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 106656773
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070
cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine
CID 106657105
(2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
CID 105150850
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 62078656
[3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methyl]hydrazine
CID 105333213
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106657133

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine?
The IUPAC name of cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine (CID 106657216) is cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine is Cc1cc(C(N)C2=CCCCC2)n(C)n1.
What is the InChIKey of cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine?
The InChIKey is ZZHJDZUIBWXZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-8-11(15(2)14-9)12(13)10-6-4-3-5-7-10/h6,8,12H,3-5,7,13H2,1-2H3.
What are the key properties of cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine?
cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine has a molecular weight of 205.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 106657216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).