3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one

C22H29N3O4 — CID 118305347

IUPAC3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(-c2ccn(CCC(=O)N3CCOCC3)n2)cc1OC1CCCC1
InChIInChI=1S/C22H29N3O4/c1-27-20-7-6-17(16-21(20)29-18-4-2-3-5-18)19-8-10-25(23-19)11-9-22(26)24-12-14-28-15-13-24/h6-8,10,16,18H,2-5,9,11-15H2,1H3
InChIKeyLZJDBIMGCFIYOI-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.13
Rot. Bonds7

About 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one

3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 118305347) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID118305347
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(-c2ccn(CCC(=O)N3CCOCC3)n2)cc1OC1CCCC1
InChIInChI=1S/C22H29N3O4/c1-27-20-7-6-17(16-21(20)29-18-4-2-3-5-18)19-8-10-25(23-19)11-9-22(26)24-12-14-28-15-13-24/h6-8,10,16,18H,2-5,9,11-15H2,1H3
InChIKeyLZJDBIMGCFIYOI-UHFFFAOYSA-N
XLogP3.13
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methoxy-4-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]benzonitrile
CID 138471340
3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-morpholinylcarbonyl)-1H-pyrazol-1-yl]propanenitrile
CID 2474170
(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
(1,4-dioxan-2-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190228
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
1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-diethyl-1H-pyrazole-4-carboxamide
CID 2471335
(S)-3-methoxy-4-((1-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)propan-2-yl)oxy)benzonitrile
CID 138471339
(R)-3-methoxy-4-((1-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)propan-2-yl)oxy)benzonitrile
CID 138471341
(2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
CID 133084129
1-[7-(3-chlorophenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 42328531

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one (CID 118305347) is 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one is COc1ccc(-c2ccn(CCC(=O)N3CCOCC3)n2)cc1OC1CCCC1.
What is the InChIKey of 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LZJDBIMGCFIYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-20-7-6-17(16-21(20)29-18-4-2-3-5-18)19-8-10-25(23-19)11-9-22(26)24-12-14-28-15-13-24/h6-8,10,16,18H,2-5,9,11-15H2,1H3.
What are the key properties of 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 399.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 118305347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).