[3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C21H26N4O2 — CID 170636399

IUPAC[3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC(c2ccc(C3CCOC3)cc2)C1)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C21H26N4O2/c26-21(24-9-6-17(11-24)20-5-8-22-23-20)25-12-19(13-25)16-3-1-15(2-4-16)18-7-10-27-14-18/h1-5,8,17-19H,6-7,9-14H2,(H,22,23)
InChIKeyXYTKEDSLXBRNDN-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.92
Rot. Bonds3

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

[3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 170636399) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID170636399
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC(c2ccc(C3CCOC3)cc2)C1)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C21H26N4O2/c26-21(24-9-6-17(11-24)20-5-8-22-23-20)25-12-19(13-25)16-3-1-15(2-4-16)18-7-10-27-14-18/h1-5,8,17-19H,6-7,9-14H2,(H,22,23)
InChIKeyXYTKEDSLXBRNDN-UHFFFAOYSA-N
XLogP2.92
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[(2R)-1,4-dioxan-2-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
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[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
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CID 62867071
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124952781
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isoquinolin-1-yl-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124951974
1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124955122
3-[2-oxo-2-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 125001259
(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 170636399) is [3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is O=C(N1CC(c2ccc(C3CCOC3)cc2)C1)N1CCC(c2ccn[nH]2)C1.
What is the InChIKey of [3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XYTKEDSLXBRNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(24-9-6-17(11-24)20-5-8-22-23-20)25-12-19(13-25)16-3-1-15(2-4-16)18-7-10-27-14-18/h1-5,8,17-19H,6-7,9-14H2,(H,22,23).
What are the key properties of [3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
[3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(oxolan-3-yl)phenyl]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 170636399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).