2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine

C12H19F2N3 — CID 114225872

IUPAC2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1C(N)CC1CCCC(F)(F)C1
InChIInChI=1S/C12H19F2N3/c1-17-11(4-6-16-17)10(15)7-9-3-2-5-12(13,14)8-9/h4,6,9-10H,2-3,5,7-8,15H2,1H3
InChIKeyXSBMMJZRFNXTLL-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.64
Rot. Bonds3

About 2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine

2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 114225872) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID114225872
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1C(N)CC1CCCC(F)(F)C1
InChIInChI=1S/C12H19F2N3/c1-17-11(4-6-16-17)10(15)7-9-3-2-5-12(13,14)8-9/h4,6,9-10H,2-3,5,7-8,15H2,1H3
InChIKeyXSBMMJZRFNXTLL-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431
5-(3,3-difluorocyclohexyl)-1-methylpyrazole
CID 134224471
1-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167008
2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105148582
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130
1-(5-bromothiophen-3-yl)-2-(3,3-difluorocyclohexyl)ethanamine
CID 114225848
2-cyclopentyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858828
(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858366
(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine
CID 65392017
3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 112567552
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757054

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine (CID 114225872) is 2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine is Cn1nccc1C(N)CC1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is XSBMMJZRFNXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-17-11(4-6-16-17)10(15)7-9-3-2-5-12(13,14)8-9/h4,6,9-10H,2-3,5,7-8,15H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine?
2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 243.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 114225872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).