[1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

C13H19N5O2 — CID 131934798

IUPAC[1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(Cc1nonc1C)C2
InChIInChI=1S/C13H19N5O2/c1-3-18-13-4-5-17(6-10(13)12(8-19)14-18)7-11-9(2)15-20-16-11/h19H,3-8H2,1-2H3
InChIKeyRFZIUANKVAMWPG-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.65
Rot. Bonds4

About [1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

[1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 131934798) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is [1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID131934798
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name[1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(Cc1nonc1C)C2
InChIInChI=1S/C13H19N5O2/c1-3-18-13-4-5-17(6-10(13)12(8-19)14-18)7-11-9(2)15-20-16-11/h19H,3-8H2,1-2H3
InChIKeyRFZIUANKVAMWPG-UHFFFAOYSA-N
XLogP0.65
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 131934798) is [1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is CCn1nc(CO)c2c1CCN(Cc1nonc1C)C2.
What is the InChIKey of [1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is RFZIUANKVAMWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-3-18-13-4-5-17(6-10(13)12(8-19)14-18)7-11-9(2)15-20-16-11/h19H,3-8H2,1-2H3.
What are the key properties of [1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
[1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 277.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 131934798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).