2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

C17H26N4O — CID 91914622

IUPAC2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(Cc2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C17H26N4O/c22-16(10-12-3-1-2-4-12)21-8-7-13(11-21)9-15-18-17(20-19-15)14-5-6-14/h12-14H,1-11H2,(H,18,19,20)
InChIKeyIATXMHZPCKDWHX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.65
Rot. Bonds5

About 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 91914622) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID91914622
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(Cc2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C17H26N4O/c22-16(10-12-3-1-2-4-12)21-8-7-13(11-21)9-15-18-17(20-19-15)14-5-6-14/h12-14H,1-11H2,(H,18,19,20)
InChIKeyIATXMHZPCKDWHX-UHFFFAOYSA-N
XLogP2.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-isobutylpyrrolidin-2-one
CID 50956691
cyclohexyl[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192128
2-Cyclopentyl-1-[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]-1-ethanone
CID 53192195
cyclopentyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192204
Cyclohexyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]methanone
CID 53192219
2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 87051832
3-cyclopentyl-1-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 91920138
cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 110194773
1-Cyclopentanecarbonyl-4-[(5-methyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 110196460
2-cyclohexyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 124071985
1-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 95207918
2-cyclohexyl-1-[(3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 164632134

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone (CID 91914622) is 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(Cc2nc(C3CC3)n[nH]2)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is IATXMHZPCKDWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-16(10-12-3-1-2-4-12)21-8-7-13(11-21)9-15-18-17(20-19-15)14-5-6-14/h12-14H,1-11H2,(H,18,19,20).
What are the key properties of 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91914622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).