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

C16H20N4O — CID 134149949

IUPAC1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCc1cccc(Nc2n[nH]c3c2CN(C(C)=O)CC3)c1
InChIInChI=1S/C16H20N4O/c1-3-12-5-4-6-13(9-12)17-16-14-10-20(11(2)21)8-7-15(14)18-19-16/h4-6,9H,3,7-8,10H2,1-2H3,(H2,17,18,19)
InChIKeyRZYSZTUMZFCLCL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.62
Rot. Bonds3

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

1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 134149949) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID134149949
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCc1cccc(Nc2n[nH]c3c2CN(C(C)=O)CC3)c1
InChIInChI=1S/C16H20N4O/c1-3-12-5-4-6-13(9-12)17-16-14-10-20(11(2)21)8-7-15(14)18-19-16/h4-6,9H,3,7-8,10H2,1-2H3,(H2,17,18,19)
InChIKeyRZYSZTUMZFCLCL-UHFFFAOYSA-N
XLogP2.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

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1-(3-Phenylazanyl-1,4,6,7-Tetrahydropyrazolo[4,3-C]pyridin-5-Yl)ethanone
CID 95828281
N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}-4-(pyrrolidin-1-yl)butanamide
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4-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539556
1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide
CID 6539558
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-4-(dimethylamino)butanamide
CID 6539560
N-(6-benzyl-1H-indazol-3-yl)butyramide
CID 10266409
N-(6-phenethyl-1H-indazol-3-yl)butyramide
CID 22319484
N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422380
N-(3-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422384
3-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 134149949) is 1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is CCc1cccc(Nc2n[nH]c3c2CN(C(C)=O)CC3)c1.
What is the InChIKey of 1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is RZYSZTUMZFCLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-12-5-4-6-13(9-12)17-16-14-10-20(11(2)21)8-7-15(14)18-19-16/h4-6,9H,3,7-8,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 134149949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).