2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine

C11H18FN3 — CID 115027444

IUPAC2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine
SMILESNCCc1cnn(C2CCCCC2)c1F
InChIInChI=1S/C11H18FN3/c12-11-9(6-7-13)8-14-15(11)10-4-2-1-3-5-10/h8,10H,1-7,13H2
InChIKeyBIEXDIXNCKCVMU-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.03
Rot. Bonds3

About 2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine

2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine (PubChem CID 115027444) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine
PubChem CID115027444
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine
SMILESNCCc1cnn(C2CCCCC2)c1F
InChIInChI=1S/C11H18FN3/c12-11-9(6-7-13)8-14-15(11)10-4-2-1-3-5-10/h8,10H,1-7,13H2
InChIKeyBIEXDIXNCKCVMU-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine (CID 115027444) is 2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine is NCCc1cnn(C2CCCCC2)c1F.
What is the InChIKey of 2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine?
The InChIKey is BIEXDIXNCKCVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c12-11-9(6-7-13)8-14-15(11)10-4-2-1-3-5-10/h8,10H,1-7,13H2.
What are the key properties of 2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine?
2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine has a molecular weight of 211.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine is sourced from PubChem (CID 115027444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).