1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C18H24N4O — CID 121372878

IUPAC1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2C(C)C)C1
InChIInChI=1S/C18H24N4O/c1-12(2)22-17-8-9-21(14(4)23)11-16(17)18(20-22)19-15-7-5-6-13(3)10-15/h5-7,10,12H,8-9,11H2,1-4H3,(H,19,20)
InChIKeyRZMKUWKGRPMORO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.42
Rot. Bonds3

About 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372878) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372878
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2C(C)C)C1
InChIInChI=1S/C18H24N4O/c1-12(2)22-17-8-9-21(14(4)23)11-16(17)18(20-22)19-15-7-5-6-13(3)10-15/h5-7,10,12H,8-9,11H2,1-4H3,(H,19,20)
InChIKeyRZMKUWKGRPMORO-UHFFFAOYSA-N
XLogP3.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
1-(3-Phenylazanyl-1,4,6,7-Tetrahydropyrazolo[4,3-C]pyridin-5-Yl)ethanone
CID 95828281
3-[[1-(Cyclopropylmethyl)-5-Ethanoyl-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-3-Yl]amino]-~{n}-Propan-2-Yl-Benzamide
CID 121365488
Difenamizole
CID 65695
1-Benzyl-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
CID 11057181
1-(2-Benzyl-5-methylpyrazol-3-yl)-3-(3,4-difluorophenyl)urea
CID 48750778
2-amino-N-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzyl)acetamide
CID 49862286
1-(3-(m-tolylamino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 121365342
US9763922, Example 44
CID 121372691
1-[3-(3-methylanilino)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372875
1-[3-(3-methylanilino)-1-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372877
1-[1-(cyclopropylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372879

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372878) is 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2C(C)C)C1.
What is the InChIKey of 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is RZMKUWKGRPMORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)22-17-8-9-21(14(4)23)11-16(17)18(20-22)19-15-7-5-6-13(3)10-15/h5-7,10,12H,8-9,11H2,1-4H3,(H,19,20).
What are the key properties of 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylanilino)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).