2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C23H31N3O4 — CID 118305327

IUPAC2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCOc1ccc(-c2ccn(CC(=O)N3CC(C)OC(C)C3)n2)cc1OC1CCCC1
InChIInChI=1S/C23H31N3O4/c1-16-13-25(14-17(2)29-16)23(27)15-26-11-10-20(24-26)18-8-9-21(28-3)22(12-18)30-19-6-4-5-7-19/h8-12,16-17,19H,4-7,13-15H2,1-3H3
InChIKeyBGJDAAXAOCEFCW-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.52
Rot. Bonds6

About 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 118305327) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID118305327
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCOc1ccc(-c2ccn(CC(=O)N3CC(C)OC(C)C3)n2)cc1OC1CCCC1
InChIInChI=1S/C23H31N3O4/c1-16-13-25(14-17(2)29-16)23(27)15-26-11-10-20(24-26)18-8-9-21(28-3)22(12-18)30-19-6-4-5-7-19/h8-12,16-17,19H,4-7,13-15H2,1-3H3
InChIKeyBGJDAAXAOCEFCW-UHFFFAOYSA-N
XLogP3.52
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(Z)-3-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl)-1-morpholinoprop-2-en-1-one
CID 2175318
(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylprop-2-en-1-one
CID 2343215
3-methoxy-1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidine
CID 16191202
(E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-one;hydrochloride
CID 16196078
(2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
CID 133084129
3-[3-(3-Cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one
CID 118305347
1-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyridin-3-ylmethyl)piperazine
CID 16191513
1-(1,3-benzodioxol-5-ylmethyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24793279
3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]-N,N-dimethylacrylamide
CID 2177060
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 5308408
2-[3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 6602908
1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone
CID 9549990

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 118305327) is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is COc1ccc(-c2ccn(CC(=O)N3CC(C)OC(C)C3)n2)cc1OC1CCCC1.
What is the InChIKey of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is BGJDAAXAOCEFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-16-13-25(14-17(2)29-16)23(27)15-26-11-10-20(24-26)18-8-9-21(28-3)22(12-18)30-19-6-4-5-7-19/h8-12,16-17,19H,4-7,13-15H2,1-3H3.
What are the key properties of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 413.52 g/mol, XLogP of 3.52, 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-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 118305327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).