2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine

C16H29N3 — CID 107189218

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine
SMILESCCC(C)n1ccc(CC(N)C2CCCC2(C)C)n1
InChIInChI=1S/C16H29N3/c1-5-12(2)19-10-8-13(18-19)11-15(17)14-7-6-9-16(14,3)4/h8,10,12,14-15H,5-7,9,11,17H2,1-4H3
InChIKeyKYBLYFDIZKGTNJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.55
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine (PubChem CID 107189218) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine
PubChem CID107189218
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine
SMILESCCC(C)n1ccc(CC(N)C2CCCC2(C)C)n1
InChIInChI=1S/C16H29N3/c1-5-12(2)19-10-8-13(18-19)11-15(17)14-7-6-9-16(14,3)4/h8,10,12,14-15H,5-7,9,11,17H2,1-4H3
InChIKeyKYBLYFDIZKGTNJ-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107190490
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine
CID 104989817
1-(1-butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-amine
CID 64784520
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154
[1-(1-butan-2-ylpyrazol-3-yl)-4-cyclohexylbutan-2-yl]hydrazine
CID 105312574
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452203
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79059051
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093134
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179421
[1-(1-butan-2-ylpyrazol-3-yl)-3-cyclopropylbutan-2-yl]hydrazine
CID 105312549
3-(3-bromo-2-methylpentyl)-1-butan-2-ylpyrazole
CID 64778850

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine (CID 107189218) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine is CCC(C)n1ccc(CC(N)C2CCCC2(C)C)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine?
The InChIKey is KYBLYFDIZKGTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-12(2)19-10-8-13(18-19)11-15(17)14-7-6-9-16(14,3)4/h8,10,12,14-15H,5-7,9,11,17H2,1-4H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine is sourced from PubChem (CID 107189218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).