tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

C15H23N3O3 — CID 121435449

IUPACtert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2[nH]nc(C3CCCO3)c2C1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-6-11-10(9-18)13(17-16-11)12-5-4-8-20-12/h12H,4-9H2,1-3H3,(H,16,17)
InChIKeyDJRJUPFPSPUPSW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.55
Rot. Bonds1

About tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 121435449) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID121435449
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2[nH]nc(C3CCCO3)c2C1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-6-11-10(9-18)13(17-16-11)12-5-4-8-20-12/h12H,4-9H2,1-3H3,(H,16,17)
InChIKeyDJRJUPFPSPUPSW-UHFFFAOYSA-N
XLogP2.55
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(hydroxymethyl)-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine-5-carboxylate
CID 71305920
tert-butyl 4-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}piperidine-1-carboxylate
CID 125423629
3-tetrahydrofuran-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c] pyridine
CID 83847344
tert-butyl N-methyl-N-[2-[methyl-[[3-[1-(3-methylbutanoyl)piperidin-4-yl]-5-[(2R)-oxan-2-yl]-1H-pyrazol-4-yl]methyl]amino]ethyl]carbamate
CID 90456290
tert-butyl N-methyl-N-[2-[methyl-[[5-(oxan-2-yl)-3-(1-oxaspiro[5.5]undecan-9-yl)-1H-pyrazol-4-yl]methyl]amino]ethyl]carbamate
CID 118963036
(6S)-6-methyl-3-tetrahydrofuran-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo [4,3-c]pyridine
CID 121435453
3-(2-Hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121435456
3-(Oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121435480
Tert-butyl 3-tetrahydrofuran-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 121435492
Tert-butyl 3-(1-hydroxy-1-methyl-ethyl)-1,4,6,7-tetrahydropyrazolo [4,3-c]pyridine-5-carboxylate
CID 121435507
(6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121435516
tert-butyl (6S)-6-methyl-3-tetrahydrofuran-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 121443489

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (CID 121435449) is tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2[nH]nc(C3CCCO3)c2C1.
What is the InChIKey of tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is DJRJUPFPSPUPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-6-11-10(9-18)13(17-16-11)12-5-4-8-20-12/h12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 121435449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).