1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine

C14H26N4 — CID 103975656

IUPAC1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCc1nn(C)c(C)c1C(C)N1CCC(C(C)N)C1
InChIInChI=1S/C14H26N4/c1-9(15)13-6-7-18(8-13)12(4)14-10(2)16-17(5)11(14)3/h9,12-13H,6-8,15H2,1-5H3
InChIKeyGYVVECOFHJNQGN-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.77
Rot. Bonds3

About 1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine

1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975656) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
PubChem CID103975656
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCc1nn(C)c(C)c1C(C)N1CCC(C(C)N)C1
InChIInChI=1S/C14H26N4/c1-9(15)13-6-7-18(8-13)12(4)14-10(2)16-17(5)11(14)3/h9,12-13H,6-8,15H2,1-5H3
InChIKeyGYVVECOFHJNQGN-UHFFFAOYSA-N
XLogP1.77
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 81458250
1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975488
6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678460
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976270
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 119518527
1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975691
cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105105459
[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine
CID 103440773
(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 81391838
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine (CID 103975656) is 1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine is Cc1nn(C)c(C)c1C(C)N1CCC(C(C)N)C1.
What is the InChIKey of 1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is GYVVECOFHJNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-9(15)13-6-7-18(8-13)12(4)14-10(2)16-17(5)11(14)3/h9,12-13H,6-8,15H2,1-5H3.
What are the key properties of 1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).