1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine

C14H25N3 — CID 104747389

IUPAC1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCCNC(Cn1cc(C)cn1)C1CCCCC1
InChIInChI=1S/C14H25N3/c1-3-15-14(13-7-5-4-6-8-13)11-17-10-12(2)9-16-17/h9-10,13-15H,3-8,11H2,1-2H3
InChIKeyVBWIQKUXRXSSQV-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds5

About 1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine

1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine (PubChem CID 104747389) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine
PubChem CID104747389
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCCNC(Cn1cc(C)cn1)C1CCCCC1
InChIInChI=1S/C14H25N3/c1-3-15-14(13-7-5-4-6-8-13)11-17-10-12(2)9-16-17/h9-10,13-15H,3-8,11H2,1-2H3
InChIKeyVBWIQKUXRXSSQV-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine (CID 104747389) is 1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine is CCNC(Cn1cc(C)cn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine?
The InChIKey is VBWIQKUXRXSSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-15-14(13-7-5-4-6-8-13)11-17-10-12(2)9-16-17/h9-10,13-15H,3-8,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine?
1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-(4-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 104747389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).