cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine

C14H23N3 — CID 106657140

IUPACcyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine
SMILESCCn1nc(C)cc1C(N)C1=CCCCCC1
InChIInChI=1S/C14H23N3/c1-3-17-13(10-11(2)16-17)14(15)12-8-6-4-5-7-9-12/h8,10,14H,3-7,9,15H2,1-2H3
InChIKeyZOUYRMIAKSOBEY-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.10
Rot. Bonds3

About cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine

cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine (PubChem CID 106657140) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine
PubChem CID106657140
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Namecyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine
SMILESCCn1nc(C)cc1C(N)C1=CCCCCC1
InChIInChI=1S/C14H23N3/c1-3-17-13(10-11(2)16-17)14(15)12-8-6-4-5-7-9-12/h8,10,14H,3-7,9,15H2,1-2H3
InChIKeyZOUYRMIAKSOBEY-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.10
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

[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 106656773
cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine
CID 106657216
[(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol
CID 106657733
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
N-[cyclohepten-1-yl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 106657100
[cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methyl]hydrazine
CID 106650657
(2-ethyl-5-methylpyrazol-3-yl)-(furan-2-yl)methanamine
CID 105146979
(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine
CID 105100495
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
CID 106652462
cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 106656109
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
The IUPAC name of cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine (CID 106657140) is cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine is CCn1nc(C)cc1C(N)C1=CCCCCC1.
What is the InChIKey of cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
The InChIKey is ZOUYRMIAKSOBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-17-13(10-11(2)16-17)14(15)12-8-6-4-5-7-9-12/h8,10,14H,3-7,9,15H2,1-2H3.
What are the key properties of cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 106657140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).