2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine

C15H22N4O — CID 60972656

IUPAC2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine
SMILESCC(NCC(c1ccco1)N1CCCC1)c1ccn[nH]1
InChIInChI=1S/C15H22N4O/c1-12(13-6-7-17-18-13)16-11-14(15-5-4-10-20-15)19-8-2-3-9-19/h4-7,10,12,14,16H,2-3,8-9,11H2,1H3,(H,17,18)
InChIKeyHFIUBFAQPHSIPA-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.49
Rot. Bonds6

About 2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine

2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 60972656) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine
PubChem CID60972656
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine
SMILESCC(NCC(c1ccco1)N1CCCC1)c1ccn[nH]1
InChIInChI=1S/C15H22N4O/c1-12(13-6-7-17-18-13)16-11-14(15-5-4-10-20-15)19-8-2-3-9-19/h4-7,10,12,14,16H,2-3,8-9,11H2,1H3,(H,17,18)
InChIKeyHFIUBFAQPHSIPA-UHFFFAOYSA-N
XLogP2.49
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine (CID 60972656) is 2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine is CC(NCC(c1ccco1)N1CCCC1)c1ccn[nH]1.
What is the InChIKey of 2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is HFIUBFAQPHSIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(13-6-7-17-18-13)16-11-14(15-5-4-10-20-15)19-8-2-3-9-19/h4-7,10,12,14,16H,2-3,8-9,11H2,1H3,(H,17,18).
What are the key properties of 2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine?
2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 60972656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).