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

C14H20N4OS — CID 91895526

IUPAC[1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(Cc1scnc1C)C2
InChIInChI=1S/C14H20N4OS/c1-3-18-13-4-5-17(6-11(13)12(8-19)16-18)7-14-10(2)15-9-20-14/h9,19H,3-8H2,1-2H3
InChIKeyOBRGRWCHBHNIDC-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.72
Rot. Bonds4

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

[1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 91895526) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is [1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID91895526
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name[1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(Cc1scnc1C)C2
InChIInChI=1S/C14H20N4OS/c1-3-18-13-4-5-17(6-11(13)12(8-19)16-18)7-14-10(2)15-9-20-14/h9,19H,3-8H2,1-2H3
InChIKeyOBRGRWCHBHNIDC-UHFFFAOYSA-N
XLogP1.72
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

{1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol
CID 91831774
piperidin-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 146641567
dimethylamino-[1-propyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 169616962
[3,5-Dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]methanol
CID 62071703
{1-ethyl-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol
CID 77082707
[1-ethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 77088790
(1-ethyl-5-{[(4-methyl-1,3-thiazol-2-yl)thio]acetyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanol
CID 77095382
1-{5-[2-(1,3-Thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}ethanol
CID 91770342
{5-[2-(1,3-Thiazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 91778789
1-{5-[(5-Methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}ethane-1,2-diol
CID 91790710
{5-[(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-1-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol
CID 91835557
(1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 99973541

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 91895526) is [1-ethyl-5-[(4-methyl-1,3-thiazol-5-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-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is CCn1nc(CO)c2c1CCN(Cc1scnc1C)C2.
What is the InChIKey of [1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is OBRGRWCHBHNIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-18-13-4-5-17(6-11(13)12(8-19)16-18)7-14-10(2)15-9-20-14/h9,19H,3-8H2,1-2H3.
What are the key properties of [1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
[1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 292.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 91895526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).