methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate

C10H15N3O3 — CID 105482876

IUPACmethyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c2c(nn1CCO)CNCC2
InChIInChI=1S/C10H15N3O3/c1-16-10(15)9-7-2-3-11-6-8(7)12-13(9)4-5-14/h11,14H,2-6H2,1H3
InChIKeyWERWWEQGBNJRKB-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.69
Rot. Bonds3

About methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate

methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate (PubChem CID 105482876) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
PubChem CID105482876
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c2c(nn1CCO)CNCC2
InChIInChI=1S/C10H15N3O3/c1-16-10(15)9-7-2-3-11-6-8(7)12-13(9)4-5-14/h11,14H,2-6H2,1H3
InChIKeyWERWWEQGBNJRKB-UHFFFAOYSA-N
XLogP-0.69
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)methanol
CID 105439524
methyl 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 105462928
2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 105480661
methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate
CID 114741856
2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
CID 105464804
methyl 2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate
CID 114741952
methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate
CID 121214503
3-(5-hydroxypentyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483608
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-amine
CID 84657576
2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 105496410
2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105448944
3-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483787

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate (CID 105482876) is methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate is COC(=O)c1c2c(nn1CCO)CNCC2.
What is the InChIKey of methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate?
The InChIKey is WERWWEQGBNJRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-10(15)9-7-2-3-11-6-8(7)12-13(9)4-5-14/h11,14H,2-6H2,1H3.
What are the key properties of methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate?
methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate has a molecular weight of 225.25 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 105482876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).