N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine

C15H27N3 — CID 106830099

IUPACN-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccnn1CC)C1(C)CCCCC1
InChIInChI=1S/C15H27N3/c1-4-16-14(13-9-12-17-18(13)5-2)15(3)10-7-6-8-11-15/h9,12,14,16H,4-8,10-11H2,1-3H3
InChIKeyBTJJNWHRAZDSCD-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine

N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106830099) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106830099
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccnn1CC)C1(C)CCCCC1
InChIInChI=1S/C15H27N3/c1-4-16-14(13-9-12-17-18(13)5-2)15(3)10-7-6-8-11-15/h9,12,14,16H,4-8,10-11H2,1-3H3
InChIKeyBTJJNWHRAZDSCD-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831218
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858855
[(2-ethylpyrazol-3-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253445
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684949
1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243858
1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063591
[(2-ethylpyrazol-3-yl)-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217491
N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043879
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
[(1-methylcyclopropyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105253298

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine (CID 106830099) is N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccnn1CC)C1(C)CCCCC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is BTJJNWHRAZDSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-16-14(13-9-12-17-18(13)5-2)15(3)10-7-6-8-11-15/h9,12,14,16H,4-8,10-11H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine?
N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106830099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).