2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide

C22H23N3O4 — CID 21106798

IUPAC2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2ccnn2CC(=O)Nc2ccccc2)cc1OC1CCCO1
InChIInChI=1S/C22H23N3O4/c1-27-19-10-9-16(14-20(19)29-22-8-5-13-28-22)18-11-12-23-25(18)15-21(26)24-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,22H,5,8,13,15H2,1H3,(H,24,26)
InChIKeyYWFNAXAZMNUHMU-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.71
Rot. Bonds7

About 2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide

2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide (PubChem CID 21106798) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide
PubChem CID21106798
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2ccnn2CC(=O)Nc2ccccc2)cc1OC1CCCO1
InChIInChI=1S/C22H23N3O4/c1-27-19-10-9-16(14-20(19)29-22-8-5-13-28-22)18-11-12-23-25(18)15-21(26)24-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,22H,5,8,13,15H2,1H3,(H,24,26)
InChIKeyYWFNAXAZMNUHMU-UHFFFAOYSA-N
XLogP3.71
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]acetic acid
CID 21106837
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide
CID 69370077
1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole
CID 21106724
1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole
CID 11314519
ethyl 1-benzyl-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole-3-carboxylate
CID 21106863
ethyl 2-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 11395869
[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-3-(trifluoromethyl)pyrazol-1-yl] 3-methylbutanoate
CID 91238727
4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 68685073
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]ethanone
CID 11362524
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 68682375
1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole
CID 11269373
2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
CID 11510860

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide (CID 21106798) is 2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide is COc1ccc(-c2ccnn2CC(=O)Nc2ccccc2)cc1OC1CCCO1.
What is the InChIKey of 2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide?
The InChIKey is YWFNAXAZMNUHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-19-10-9-16(14-20(19)29-22-8-5-13-28-22)18-11-12-23-25(18)15-21(26)24-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,22H,5,8,13,15H2,1H3,(H,24,26).
What are the key properties of 2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide?
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide has a molecular weight of 393.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 21106798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).