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

C18H22N4O — CID 121373042

IUPAC1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2C2CC2)C1
InChIInChI=1S/C18H22N4O/c1-12-4-3-5-14(10-12)19-18-16-11-21(13(2)23)9-8-17(16)22(20-18)15-6-7-15/h3-5,10,15H,6-9,11H2,1-2H3,(H,19,20)
InChIKeyQESLMEPTLHITHH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.17
Rot. Bonds3

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

1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373042) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373042
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2C2CC2)C1
InChIInChI=1S/C18H22N4O/c1-12-4-3-5-14(10-12)19-18-16-11-21(13(2)23)9-8-17(16)22(20-18)15-6-7-15/h3-5,10,15H,6-9,11H2,1-2H3,(H,19,20)
InChIKeyQESLMEPTLHITHH-UHFFFAOYSA-N
XLogP3.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373042) is 1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2C2CC2)C1.
What is the InChIKey of 1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is QESLMEPTLHITHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-4-3-5-14(10-12)19-18-16-11-21(13(2)23)9-8-17(16)22(20-18)15-6-7-15/h3-5,10,15H,6-9,11H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).