2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine

C16H27N5 — CID 79960425

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)C1CN2CCN1CC2
InChIInChI=1S/C16H27N5/c17-15(16-12-19-7-9-20(16)10-8-19)11-13-5-6-21(18-13)14-3-1-2-4-14/h5-6,14-16H,1-4,7-12,17H2
InChIKeyDRFUKJLAOMZWLA-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.87
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine (PubChem CID 79960425) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
PubChem CID79960425
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)C1CN2CCN1CC2
InChIInChI=1S/C16H27N5/c17-15(16-12-19-7-9-20(16)10-8-19)11-13-5-6-21(18-13)14-3-1-2-4-14/h5-6,14-16H,1-4,7-12,17H2
InChIKeyDRFUKJLAOMZWLA-UHFFFAOYSA-N
XLogP0.87
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 64778611
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79665532
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine
CID 104993863
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346103
2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020189

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine (CID 79960425) is 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine is NC(Cc1ccn(C2CCCC2)n1)C1CN2CCN1CC2.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine?
The InChIKey is DRFUKJLAOMZWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c17-15(16-12-19-7-9-20(16)10-8-19)11-13-5-6-21(18-13)14-3-1-2-4-14/h5-6,14-16H,1-4,7-12,17H2.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine has a molecular weight of 289.43 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine is sourced from PubChem (CID 79960425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).