methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C10H14N2O3 — CID 75176163

IUPACmethyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(CO)nn2c1CCCC2
InChIInChI=1S/C10H14N2O3/c1-15-10(14)9-7(6-13)11-12-5-3-2-4-8(9)12/h13H,2-6H2,1H3
InChIKeySIHVKLKDTWICHY-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.50
Rot. Bonds2

About methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 75176163) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID75176163
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(CO)nn2c1CCCC2
InChIInChI=1S/C10H14N2O3/c1-15-10(14)9-7(6-13)11-12-5-3-2-4-8(9)12/h13H,2-6H2,1H3
InChIKeySIHVKLKDTWICHY-UHFFFAOYSA-N
XLogP0.50
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-methoxy-3-methyl-4-oxobutan-2-yl)sulfanylmethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167991746
methyl 2-[(6-chloro-5-fluoro-3-pyridinyl)oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167869642
methyl 2-[(4-bromo-3-chlorophenoxy)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167817127
methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167841760
methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167747210
methyl 2-[[(4-fluoro-2-methylsulfanylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167760947
methyl 2-[(5-cyclobutyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167812452
methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167838131
methyl 2-[(1-oxaspiro[4.4]nonan-2-ylmethylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167766636
methyl 2-[(5-bromo-6-fluoro-2-oxo-1,3-benzoxazol-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167830489
methyl 2-[[[2-oxo-2-[(2-phenylpyrazol-3-yl)amino]acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167899156
(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanol
CID 155019625

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 75176163) is methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1c(CO)nn2c1CCCC2.
What is the InChIKey of methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is SIHVKLKDTWICHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-10(14)9-7(6-13)11-12-5-3-2-4-8(9)12/h13H,2-6H2,1H3.
What are the key properties of methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 75176163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).