2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone

C14H14ClN3O2 — CID 86859847

IUPAC2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCc2[nH]ncc2C1
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-2-4-13(11)20-9-14(19)18-6-5-12-10(8-18)7-16-17-12/h1-4,7H,5-6,8-9H2,(H,16,17)
InChIKeyMTHAGIHMKNCECP-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone

2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 86859847) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID86859847
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCc2[nH]ncc2C1
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-2-4-13(11)20-9-14(19)18-6-5-12-10(8-18)7-16-17-12/h1-4,7H,5-6,8-9H2,(H,16,17)
InChIKeyMTHAGIHMKNCECP-UHFFFAOYSA-N
XLogP2.03
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17838158
2-(3-Methylphenoxy)-1-{1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL}ethan-1-one
CID 53185449
2-(4-Methylphenoxy)-1-{1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL}ethan-1-one
CID 53185450
2-(2-chlorophenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165269
2-(2-chloro-4-fluorophenoxy)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]acetamide
CID 40171434
3-(4-Fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 86859680
(2S)-2-(3-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 95977439
[3-Chloro-4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 66662525
1-[3-(Fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
CID 121443388
2-(4-chlorophenoxy)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 8030995
2-(2-chlorophenoxy)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 1223953
2-(2-chloro-4-fluorophenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165399

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (CID 86859847) is 2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is O=C(COc1ccccc1Cl)N1CCc2[nH]ncc2C1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is MTHAGIHMKNCECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-11-3-1-2-4-13(11)20-9-14(19)18-6-5-12-10(8-18)7-16-17-12/h1-4,7H,5-6,8-9H2,(H,16,17).
What are the key properties of 2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 291.74 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 86859847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).