1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

C16H29N5 — CID 80546798

IUPAC1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCCn1cc(C(C)N2CCC(N3CCC(N)CC3)C2)cn1
InChIInChI=1S/C16H29N5/c1-3-21-11-14(10-18-21)13(2)20-9-6-16(12-20)19-7-4-15(17)5-8-19/h10-11,13,15-16H,3-9,12,17H2,1-2H3
InChIKeyLTNUXIUUBPLXLK-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.46
Rot. Bonds4

About 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80546798) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80546798
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCCn1cc(C(C)N2CCC(N3CCC(N)CC3)C2)cn1
InChIInChI=1S/C16H29N5/c1-3-21-11-14(10-18-21)13(2)20-9-6-16(12-20)19-7-4-15(17)5-8-19/h10-11,13,15-16H,3-9,12,17H2,1-2H3
InChIKeyLTNUXIUUBPLXLK-UHFFFAOYSA-N
XLogP1.46
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 81457622
1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80546975
1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpiperazine
CID 65418314
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 103569678
1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80552809
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 83109808
1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine
CID 80552662
3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 65065533
1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 63171805
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-propylpropanamide
CID 80553139
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine
CID 63255319
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (CID 80546798) is 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is CCn1cc(C(C)N2CCC(N3CCC(N)CC3)C2)cn1.
What is the InChIKey of 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is LTNUXIUUBPLXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-21-11-14(10-18-21)13(2)20-9-6-16(12-20)19-7-4-15(17)5-8-19/h10-11,13,15-16H,3-9,12,17H2,1-2H3.
What are the key properties of 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80546798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).