1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone

C14H15ClN4O2 — CID 84579523

IUPAC1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone
SMILESNc1n[nH]c2c1CCN(C(=O)COc1ccc(Cl)cc1)C2
InChIInChI=1S/C14H15ClN4O2/c15-9-1-3-10(4-2-9)21-8-13(20)19-6-5-11-12(7-19)17-18-14(11)16/h1-4H,5-8H2,(H3,16,17,18)
InChIKeyVCKKLLWBRKULLH-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.61
Rot. Bonds3

About 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone

1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone (PubChem CID 84579523) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone
PubChem CID84579523
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone
SMILESNc1n[nH]c2c1CCN(C(=O)COc1ccc(Cl)cc1)C2
InChIInChI=1S/C14H15ClN4O2/c15-9-1-3-10(4-2-9)21-8-13(20)19-6-5-11-12(7-19)17-18-14(11)16/h1-4H,5-8H2,(H3,16,17,18)
InChIKeyVCKKLLWBRKULLH-UHFFFAOYSA-N
XLogP1.61
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186881
1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one
CID 84582003
4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione
CID 66085312
2-(4-chlorophenoxy)-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone
CID 113089964
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 62062854
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000
[5-(2-phenoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl] hypoiodite
CID 145116781
2-(4-chlorophenoxy)-1-[8-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 11304122
2-(4-methylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 121442780
1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(4-nitrophenoxy)ethanone
CID 108727085

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone?
The IUPAC name of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone (CID 84579523) is 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone.
What is the SMILES notation for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone?
The canonical SMILES for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone is Nc1n[nH]c2c1CCN(C(=O)COc1ccc(Cl)cc1)C2.
What is the InChIKey of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone?
The InChIKey is VCKKLLWBRKULLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-9-1-3-10(4-2-9)21-8-13(20)19-6-5-11-12(7-19)17-18-14(11)16/h1-4H,5-8H2,(H3,16,17,18).
What are the key properties of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone?
1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone has a molecular weight of 306.75 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2-(4-chlorophenoxy)ethanone is sourced from PubChem (CID 84579523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).