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

C19H21N5O2 — CID 121372874

IUPAC1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2Cc2cnco2)C1
InChIInChI=1S/C19H21N5O2/c1-13-4-3-5-15(8-13)21-19-17-11-23(14(2)25)7-6-18(17)24(22-19)10-16-9-20-12-26-16/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,21,22)
InChIKeyLSNFUBRHONVZSP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.88
Rot. Bonds4

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

1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372874) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372874
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2Cc2cnco2)C1
InChIInChI=1S/C19H21N5O2/c1-13-4-3-5-15(8-13)21-19-17-11-23(14(2)25)7-6-18(17)24(22-19)10-16-9-20-12-26-16/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,21,22)
InChIKeyLSNFUBRHONVZSP-UHFFFAOYSA-N
XLogP2.88
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 121372884
CID 121372884
CID 150842946
CID 150842946
CID 121373393
CID 121373393
CID 121372881
CID 121372881
CID 135222725
CID 135222725
CID 135222870
CID 135222870
CID 71246917
CID 71246917
CID 89470689
CID 89470689
CID 132210660
CID 132210660
CID 143480090
CID 143480090
CID 172828380
CID 172828380
CID 135222627
CID 135222627

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372874) is 1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2Cc2cnco2)C1.
What is the InChIKey of 1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is LSNFUBRHONVZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-4-3-5-15(8-13)21-19-17-11-23(14(2)25)7-6-18(17)24(22-19)10-16-9-20-12-26-16/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,21,22).
What are the key properties of 1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 351.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylanilino)-1-(1,3-oxazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).