methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate

C10H14N2O2 — CID 145440264

IUPACmethyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCn2ncc(C)c2C1
InChIInChI=1S/C10H14N2O2/c1-7-6-11-12-4-3-8(5-9(7)12)10(13)14-2/h6,8H,3-5H2,1-2H3
InChIKeyNPLIRIMCTORQNS-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.93
Rot. Bonds1

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

methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 145440264) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate
PubChem CID145440264
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCn2ncc(C)c2C1
InChIInChI=1S/C10H14N2O2/c1-7-6-11-12-4-3-8(5-9(7)12)10(13)14-2/h6,8H,3-5H2,1-2H3
InChIKeyNPLIRIMCTORQNS-UHFFFAOYSA-N
XLogP0.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate (CID 145440264) is methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate is COC(=O)C1CCn2ncc(C)c2C1.
What is the InChIKey of methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is NPLIRIMCTORQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-6-11-12-4-3-8(5-9(7)12)10(13)14-2/h6,8H,3-5H2,1-2H3.
What are the key properties of methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate?
methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 145440264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).