[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone

C18H20N4O2 — CID 26398742

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CCC[C@H]1CO
InChIInChI=1S/C18H20N4O2/c23-12-15-5-3-8-22(15)18(24)16-10-14(19-20-16)11-21-9-7-13-4-1-2-6-17(13)21/h1-2,4,6-7,9-10,15,23H,3,5,8,11-12H2,(H,19,20)/t15-/m0/s1
InChIKeyJRWPYHHLIPBKQQ-HNNXBMFYSA-N
MW324.38 g/mol
LogP2.01
Rot. Bonds4

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 26398742) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
PubChem CID26398742
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CCC[C@H]1CO
InChIInChI=1S/C18H20N4O2/c23-12-15-5-3-8-22(15)18(24)16-10-14(19-20-16)11-21-9-7-13-4-1-2-6-17(13)21/h1-2,4,6-7,9-10,15,23H,3,5,8,11-12H2,(H,19,20)/t15-/m0/s1
InChIKeyJRWPYHHLIPBKQQ-HNNXBMFYSA-N
XLogP2.01
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone with MolForge

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Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609321
[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
CID 56743412
[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
CID 45200535
2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]indole-1-carboxylic acid
CID 22104464
[1-(2-aminophenyl)pyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210007
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 79028762
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 66261240
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
[(2R)-2-ethylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 36703026

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone (CID 26398742) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is JRWPYHHLIPBKQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-12-15-5-3-8-22(15)18(24)16-10-14(19-20-16)11-21-9-7-13-4-1-2-6-17(13)21/h1-2,4,6-7,9-10,15,23H,3,5,8,11-12H2,(H,19,20)/t15-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 26398742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).