[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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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).