[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone

C19H25N5O — CID 98761419

IUPAC[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C19H25N5O/c25-19(24-13-4-7-17(24)15-23-12-5-10-21-23)16-6-3-11-22(14-16)18-8-1-2-9-20-18/h1-2,5,8-10,12,16-17H,3-4,6-7,11,13-15H2/t16-,17+/m1/s1
InChIKeyZHFFJHOXOUDTPY-SJORKVTESA-N
MW339.44 g/mol
LogP2.19
Rot. Bonds4

About [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone

[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone (PubChem CID 98761419) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
PubChem CID98761419
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C19H25N5O/c25-19(24-13-4-7-17(24)15-23-12-5-10-21-23)16-6-3-11-22(14-16)18-8-1-2-9-20-18/h1-2,5,8-10,12,16-17H,3-4,6-7,11,13-15H2/t16-,17+/m1/s1
InChIKeyZHFFJHOXOUDTPY-SJORKVTESA-N
XLogP2.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone with MolForge

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Related Compounds

[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603700
(1-pyrazin-2-ylpiperidin-3-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779237
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 92606124
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95583542
(2-piperidin-1-yl-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603771
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95337233
[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95149695
(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanone
CID 47884292
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
(4S)-1-cyclopropyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95603675

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone (CID 98761419) is [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone is O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The InChIKey is ZHFFJHOXOUDTPY-SJORKVTESA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(24-13-4-7-17(24)15-23-12-5-10-21-23)16-6-3-11-22(14-16)18-8-1-2-9-20-18/h1-2,5,8-10,12,16-17H,3-4,6-7,11,13-15H2/t16-,17+/m1/s1.
What are the key properties of [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone?
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 98761419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).