[1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone

C20H25N3O3 — CID 118794801

IUPAC[1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESCOc1ccc(C2(C(=O)N3CC(n4cccn4)C3)CCCC2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-17-7-6-15(12-18(17)26-2)20(8-3-4-9-20)19(24)22-13-16(14-22)23-11-5-10-21-23/h5-7,10-12,16H,3-4,8-9,13-14H2,1-2H3
InChIKeyCDYDBPJFAVRARP-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.80
Rot. Bonds5

About [1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone

[1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone (PubChem CID 118794801) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
PubChem CID118794801
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESCOc1ccc(C2(C(=O)N3CC(n4cccn4)C3)CCCC2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-17-7-6-15(12-18(17)26-2)20(8-3-4-9-20)19(24)22-13-16(14-22)23-11-5-10-21-23/h5-7,10-12,16H,3-4,8-9,13-14H2,1-2H3
InChIKeyCDYDBPJFAVRARP-UHFFFAOYSA-N
XLogP2.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3,4-dimethoxyphenyl)cyclopentyl]-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 70769774
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[1-(3,4-dimethoxyphenyl)cyclopentyl]methanone
CID 133125413
2-[4-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 120527779
1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 119125744
N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1324116
[1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 110436742
acetic acid;[3-(2-aminoethoxy)-4-methoxyphenyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 154904873
1-(3,4-dimethoxyphenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
CID 138999843
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 119062092
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The IUPAC name of [1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone (CID 118794801) is [1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for [1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The canonical SMILES for [1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone is COc1ccc(C2(C(=O)N3CC(n4cccn4)C3)CCCC2)cc1OC.
What is the InChIKey of [1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The InChIKey is CDYDBPJFAVRARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-17-7-6-15(12-18(17)26-2)20(8-3-4-9-20)19(24)22-13-16(14-22)23-11-5-10-21-23/h5-7,10-12,16H,3-4,8-9,13-14H2,1-2H3.
What are the key properties of [1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone?
[1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyphenyl)cyclopentyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 118794801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).