2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone

C16H24N4O — CID 121021120

IUPAC2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C16H24N4O/c21-16(9-12-3-1-2-4-12)19-8-7-14(10-19)20-11-15(17-18-20)13-5-6-13/h11-14H,1-10H2
InChIKeyDYNMPCZBFLUOAY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds4

About 2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone (PubChem CID 121021120) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
PubChem CID121021120
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C16H24N4O/c21-16(9-12-3-1-2-4-12)19-8-7-14(10-19)20-11-15(17-18-20)13-5-6-13/h11-14H,1-10H2
InChIKeyDYNMPCZBFLUOAY-UHFFFAOYSA-N
XLogP2.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
cyclobutylmethyl 3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 121190670
2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190066
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 121190540
1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-naphthalen-1-ylethanone
CID 124891823
2-[2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121190555
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589
2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 124760925
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 121190624
3-(2-bromophenyl)-1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 124760129
1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
CID 124760367

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone (CID 121021120) is 2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is DYNMPCZBFLUOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(9-12-3-1-2-4-12)19-8-7-14(10-19)20-11-15(17-18-20)13-5-6-13/h11-14H,1-10H2.
What are the key properties of 2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 121021120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).