[1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine

C12H21N3 — CID 63861512

IUPAC[1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine
SMILESCCC1CCCCC1n1cc(CN)cn1
InChIInChI=1S/C12H21N3/c1-2-11-5-3-4-6-12(11)15-9-10(7-13)8-14-15/h8-9,11-12H,2-7,13H2,1H3
InChIKeyRIAJNJGFLDHBGB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.48
Rot. Bonds3

About [1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine

[1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine (PubChem CID 63861512) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is [1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine
PubChem CID63861512
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name[1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine
SMILESCCC1CCCCC1n1cc(CN)cn1
InChIInChI=1S/C12H21N3/c1-2-11-5-3-4-6-12(11)15-9-10(7-13)8-14-15/h8-9,11-12H,2-7,13H2,1H3
InChIKeyRIAJNJGFLDHBGB-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine (CID 63861512) is [1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine is CCC1CCCCC1n1cc(CN)cn1.
What is the InChIKey of [1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine?
The InChIKey is RIAJNJGFLDHBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-11-5-3-4-6-12(11)15-9-10(7-13)8-14-15/h8-9,11-12H,2-7,13H2,1H3.
What are the key properties of [1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine?
[1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylcyclohexyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 63861512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).