2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine

C16H27N3O — CID 104987899

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine
SMILESCC1CCOC1C(N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-12-8-10-20-16(12)15(17)11-13-7-9-19(18-13)14-5-3-2-4-6-14/h7,9,12,14-16H,2-6,8,10-11,17H2,1H3
InChIKeyIESHPMFIDZSSGB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.68
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine

2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine (PubChem CID 104987899) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine
PubChem CID104987899
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine
SMILESCC1CCOC1C(N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-12-8-10-20-16(12)15(17)11-13-7-9-19(18-13)14-5-3-2-4-6-14/h7,9,12,14-16H,2-6,8,10-11,17H2,1H3
InChIKeyIESHPMFIDZSSGB-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 64778611
2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115804990
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79665532
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 104987859
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine (CID 104987899) is 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine is CC1CCOC1C(N)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine?
The InChIKey is IESHPMFIDZSSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-8-10-20-16(12)15(17)11-13-7-9-19(18-13)14-5-3-2-4-6-14/h7,9,12,14-16H,2-6,8,10-11,17H2,1H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine?
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 104987899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).