1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C17H22N4O — CID 121373206

IUPAC1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C17H22N4O/c1-4-21-16-8-9-20(13(3)22)11-15(16)17(19-21)18-14-7-5-6-12(2)10-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19)
InChIKeyLPEFXYUIOKMUCW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.86
Rot. Bonds3

About 1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373206) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373206
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C17H22N4O/c1-4-21-16-8-9-20(13(3)22)11-15(16)17(19-21)18-14-7-5-6-12(2)10-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19)
InChIKeyLPEFXYUIOKMUCW-UHFFFAOYSA-N
XLogP2.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373206) is 1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CCn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is LPEFXYUIOKMUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-21-16-8-9-20(13(3)22)11-15(16)17(19-21)18-14-7-5-6-12(2)10-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of 1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).