3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine

C16H30N4 — CID 79067191

IUPAC3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCn1cc(CC(N)C(CC)(CC)N2CCCC2)cn1
InChIInChI=1S/C16H30N4/c1-4-16(5-2,19-9-7-8-10-19)15(17)11-14-12-18-20(6-3)13-14/h12-13,15H,4-11,17H2,1-3H3
InChIKeyDVTAIMAFFLFMGG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.43
Rot. Bonds7

About 3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine

3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 79067191) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID79067191
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCn1cc(CC(N)C(CC)(CC)N2CCCC2)cn1
InChIInChI=1S/C16H30N4/c1-4-16(5-2,19-9-7-8-10-19)15(17)11-14-12-18-20(6-3)13-14/h12-13,15H,4-11,17H2,1-3H3
InChIKeyDVTAIMAFFLFMGG-UHFFFAOYSA-N
XLogP2.43
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069573
1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79045465
1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069578
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclopentyl)ethanamine
CID 115822094
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclohexyl)ethanamine
CID 106829887
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822637
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107004225
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
CID 62126098

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine (CID 79067191) is 3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine is CCn1cc(CC(N)C(CC)(CC)N2CCCC2)cn1.
What is the InChIKey of 3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is DVTAIMAFFLFMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-16(5-2,19-9-7-8-10-19)15(17)11-14-12-18-20(6-3)13-14/h12-13,15H,4-11,17H2,1-3H3.
What are the key properties of 3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine?
3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 79067191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).