3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one

C19H26N6O2 — CID 164632750

IUPAC3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CC[C@H](n2cc(COc3cnccn3)nn2)C1
InChIInChI=1S/C19H26N6O2/c26-19(6-5-15-3-1-2-4-15)24-10-7-17(13-24)25-12-16(22-23-25)14-27-18-11-20-8-9-21-18/h8-9,11-12,15,17H,1-7,10,13-14H2/t17-/m0/s1
InChIKeyJULUHRPLPCWXER-KRWDZBQOSA-N
MW370.46 g/mol
LogP2.39
Rot. Bonds7

About 3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 164632750) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID164632750
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CC[C@H](n2cc(COc3cnccn3)nn2)C1
InChIInChI=1S/C19H26N6O2/c26-19(6-5-15-3-1-2-4-15)24-10-7-17(13-24)25-12-16(22-23-25)14-27-18-11-20-8-9-21-18/h8-9,11-12,15,17H,1-7,10,13-14H2/t17-/m0/s1
InChIKeyJULUHRPLPCWXER-KRWDZBQOSA-N
XLogP2.39
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 75356198
3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
CID 46992366
1-[(3S)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 26338863
1-[1-(3-cyclohexylpropanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45239626
tert-butyl 4-[2-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 134161790
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126853764
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639054
3-cyclopentyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
CID 122247079
[4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 30881980
1-[(3S)-1-propanoylpyrrolidin-3-yl]triazole-4-carbaldehyde
CID 129497302

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one (CID 164632750) is 3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CC[C@H](n2cc(COc3cnccn3)nn2)C1.
What is the InChIKey of 3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is JULUHRPLPCWXER-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N6O2/c26-19(6-5-15-3-1-2-4-15)24-10-7-17(13-24)25-12-16(22-23-25)14-27-18-11-20-8-9-21-18/h8-9,11-12,15,17H,1-7,10,13-14H2/t17-/m0/s1.
What are the key properties of 3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 370.46 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[(3S)-3-[4-(pyrazin-2-yloxymethyl)triazol-1-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 164632750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).