2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone

C21H27N3O4 — CID 118305319

IUPAC2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccn(CC(=O)N3CCOCC3)n2)cc1OC1CCCC1
InChIInChI=1S/C21H27N3O4/c1-26-19-7-6-16(14-20(19)28-17-4-2-3-5-17)18-8-9-24(22-18)15-21(25)23-10-12-27-13-11-23/h6-9,14,17H,2-5,10-13,15H2,1H3
InChIKeyJSXQXBQEIQUZFR-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.74
Rot. Bonds6

About 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone

2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 118305319) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID118305319
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccn(CC(=O)N3CCOCC3)n2)cc1OC1CCCC1
InChIInChI=1S/C21H27N3O4/c1-26-19-7-6-16(14-20(19)28-17-4-2-3-5-17)18-8-9-24(22-18)15-21(25)23-10-12-27-13-11-23/h6-9,14,17H,2-5,10-13,15H2,1H3
InChIKeyJSXQXBQEIQUZFR-UHFFFAOYSA-N
XLogP2.74
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone (CID 118305319) is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone is COc1ccc(-c2ccn(CC(=O)N3CCOCC3)n2)cc1OC1CCCC1.
What is the InChIKey of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is JSXQXBQEIQUZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-26-19-7-6-16(14-20(19)28-17-4-2-3-5-17)18-8-9-24(22-18)15-21(25)23-10-12-27-13-11-23/h6-9,14,17H,2-5,10-13,15H2,1H3.
What are the key properties of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 385.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 118305319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).