[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

C16H24N4O2 — CID 129337050

IUPAC[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1[C@@H]1CCOC1)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C16H24N4O2/c21-16(14-9-17-18-15(14)12-4-8-22-11-12)20-7-3-13(10-20)19-5-1-2-6-19/h9,12-13H,1-8,10-11H2,(H,17,18)/t12-,13+/m1/s1
InChIKeyRRDNRJOLIMGMBB-OLZOCXBDSA-N
MW304.39 g/mol
LogP1.22
Rot. Bonds3

About [5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 129337050) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID129337050
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1[C@@H]1CCOC1)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C16H24N4O2/c21-16(14-9-17-18-15(14)12-4-8-22-11-12)20-7-3-13(10-20)19-5-1-2-6-19/h9,12-13H,1-8,10-11H2,(H,17,18)/t12-,13+/m1/s1
InChIKeyRRDNRJOLIMGMBB-OLZOCXBDSA-N
XLogP1.22
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 129337051
[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129333550
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129478229
(4-amino-1H-pyrazol-5-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168261
(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170504825
(5-amino-1H-pyrazol-4-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63155138
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
ethyl 4-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45170473
[(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129330408
(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63102325
morpholin-4-yl-[5-[(3R)-piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 98041423
N-(dicyclopropylmethyl)-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129471954

Frequently Asked Questions

What is the IUPAC name of [5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (CID 129337050) is [5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is O=C(c1cn[nH]c1[C@@H]1CCOC1)N1CC[C@H](N2CCCC2)C1.
What is the InChIKey of [5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is RRDNRJOLIMGMBB-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-16(14-9-17-18-15(14)12-4-8-22-11-12)20-7-3-13(10-20)19-5-1-2-6-19/h9,12-13H,1-8,10-11H2,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of [5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 129337050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).