[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C13H19N3O2 — CID 79544381

IUPAC[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H19N3O2/c17-12-5-1-3-9(12)11-4-2-8-16(11)13(18)10-6-7-14-15-10/h6-7,9,11-12,17H,1-5,8H2,(H,14,15)
InChIKeyAWVYVAUHCYUFJO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.18
Rot. Bonds2

About [2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 79544381) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID79544381
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H19N3O2/c17-12-5-1-3-9(12)11-4-2-8-16(11)13(18)10-6-7-14-15-10/h6-7,9,11-12,17H,1-5,8H2,(H,14,15)
InChIKeyAWVYVAUHCYUFJO-UHFFFAOYSA-N
XLogP1.18
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95332333
2-(1H-pyrazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890418
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 79546610
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1H-pyrazol-5-yl)methanone
CID 56814323
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080847
methyl (3S,3aS,6aR)-2-(1H-pyrazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 129429529
(2,6-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 79539009
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 79545297
[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95841727
tert-butyl (2S)-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 81004208
(3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
CID 128964092

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 79544381) is [2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCCC1C1CCCC1O.
What is the InChIKey of [2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is AWVYVAUHCYUFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-5-1-3-9(12)11-4-2-8-16(11)13(18)10-6-7-14-15-10/h6-7,9,11-12,17H,1-5,8H2,(H,14,15).
What are the key properties of [2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 79544381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).