1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine

C16H31N5 — CID 115989994

IUPAC1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCc1nn(C)cc1C(CN)N1CCC(N(CC)CC)C1
InChIInChI=1S/C16H31N5/c1-5-15-14(12-19(4)18-15)16(10-17)21-9-8-13(11-21)20(6-2)7-3/h12-13,16H,5-11,17H2,1-4H3
InChIKeyATAXUAZZNCUORU-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.40
Rot. Bonds7

About 1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine

1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 115989994) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID115989994
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCc1nn(C)cc1C(CN)N1CCC(N(CC)CC)C1
InChIInChI=1S/C16H31N5/c1-5-15-14(12-19(4)18-15)16(10-17)21-9-8-13(11-21)20(6-2)7-3/h12-13,16H,5-11,17H2,1-4H3
InChIKeyATAXUAZZNCUORU-UHFFFAOYSA-N
XLogP1.40
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 112669485
2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 112669237
2-(4-cyclopropylpiperazin-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 115989905
1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83089837
1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63171490
1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83090688
1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63172035
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 115989817
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592634
N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 115989859
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine (CID 115989994) is 1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine is CCc1nn(C)cc1C(CN)N1CCC(N(CC)CC)C1.
What is the InChIKey of 1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is ATAXUAZZNCUORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-15-14(12-19(4)18-15)16(10-17)21-9-8-13(11-21)20(6-2)7-3/h12-13,16H,5-11,17H2,1-4H3.
What are the key properties of 1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine?
1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 293.46 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 115989994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).