1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone

C18H21Cl2N3O2 — CID 108755702

IUPAC1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone
SMILESCC(C)(C)n1ncc2c1CCN(C(=O)COc1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C18H21Cl2N3O2/c1-18(2,3)23-15-6-7-22(10-12(15)9-21-23)17(24)11-25-16-5-4-13(19)8-14(16)20/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyWTJICBYJVMSWRY-UHFFFAOYSA-N
MW382.29 g/mol
LogP3.91
Rot. Bonds3

About 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone

1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone (PubChem CID 108755702) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone
PubChem CID108755702
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC Name1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone
SMILESCC(C)(C)n1ncc2c1CCN(C(=O)COc1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C18H21Cl2N3O2/c1-18(2,3)23-15-6-7-22(10-12(15)9-21-23)17(24)11-25-16-5-4-13(19)8-14(16)20/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyWTJICBYJVMSWRY-UHFFFAOYSA-N
XLogP3.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-(4-ethoxy-3-methoxyphenyl)propan-1-one
CID 108732146
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2,2,2-trichloroethanone
CID 108732144
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108755633
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533425
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110817700
2-(2,4-dichlorophenoxy)-1-(4-ethylpiperazin-4-ium-1-yl)ethanone
CID 6964209
ethyl 4-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 108568978
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-[butyl(methyl)amino]propan-1-one
CID 108732222
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536086
1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one
CID 110720754
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 2357968

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone?
The IUPAC name of 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone (CID 108755702) is 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone?
The canonical SMILES for 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone is CC(C)(C)n1ncc2c1CCN(C(=O)COc1ccc(Cl)cc1Cl)C2.
What is the InChIKey of 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone?
The InChIKey is WTJICBYJVMSWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c1-18(2,3)23-15-6-7-22(10-12(15)9-21-23)17(24)11-25-16-5-4-13(19)8-14(16)20/h4-5,8-9H,6-7,10-11H2,1-3H3.
What are the key properties of 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone?
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone has a molecular weight of 382.29 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone is sourced from PubChem (CID 108755702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).