2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine

C16H27N3O2 — CID 116764332

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccn(C3CCCC3)n2)CCOCC1
InChIInChI=1S/C16H27N3O2/c1-20-16(7-10-21-11-8-16)15(17)12-13-6-9-19(18-13)14-4-2-3-5-14/h6,9,14-15H,2-5,7-8,10-12,17H2,1H3
InChIKeyXXYZRRHQVAZGCE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.06
Rot. Bonds5

About 2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764332) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764332
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccn(C3CCCC3)n2)CCOCC1
InChIInChI=1S/C16H27N3O2/c1-20-16(7-10-21-11-8-16)15(17)12-13-6-9-19(18-13)14-4-2-3-5-14/h6,9,14-15H,2-5,7-8,10-12,17H2,1H3
InChIKeyXXYZRRHQVAZGCE-UHFFFAOYSA-N
XLogP2.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-4-methylpentan-2-amine
CID 116719628
1-(1-cyclopentylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560149
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116765492
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
[2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
CID 105250982
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764332) is 2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine is COC1(C(N)Cc2ccn(C3CCCC3)n2)CCOCC1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is XXYZRRHQVAZGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-20-16(7-10-21-11-8-16)15(17)12-13-6-9-19(18-13)14-4-2-3-5-14/h6,9,14-15H,2-5,7-8,10-12,17H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.06, 5 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-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).