tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate

C13H21N3O2 — CID 163590597

IUPACtert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cnn2c1CCCC2
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)15(4)11-9-14-16-8-6-5-7-10(11)16/h9H,5-8H2,1-4H3
InChIKeyGPFQGLSQKQUALR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.59
Rot. Bonds1

About tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate

tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate (PubChem CID 163590597) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate
PubChem CID163590597
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cnn2c1CCCC2
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)15(4)11-9-14-16-8-6-5-7-10(11)16/h9H,5-8H2,1-4H3
InChIKeyGPFQGLSQKQUALR-UHFFFAOYSA-N
XLogP2.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Boc-4,5,6,7-tetrahydro-pyrazolo[1,5-A]pyrazine
CID 58440750
tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-4-carboxylate
CID 71299236
tert-Butyl 4-(1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 91604925
tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419938
tert-butyl 3-(3,3-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419957
tert-butyl N-[1-(2,2-difluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-7-yl]carbamate
CID 140878246
tert-butyl 1-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate
CID 141119869
4-fluoro-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-amine
CID 146613142
tert-butyl 3-[fluoro-di(propan-2-yl)silyl]-2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylate
CID 170516985
tert-butyl 3-fluoro-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 176351849
Tert-butyl 4-[4-azido-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 178452614
tert-butyl (2R)-4-[4-azido-3-(difluoromethyl)pyrazol-1-yl]-2-methylpiperidine-1-carboxylate
CID 178452630

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate (CID 163590597) is tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate is CN(C(=O)OC(C)(C)C)c1cnn2c1CCCC2.
What is the InChIKey of tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate?
The InChIKey is GPFQGLSQKQUALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)15(4)11-9-14-16-8-6-5-7-10(11)16/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate?
tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamate is sourced from PubChem (CID 163590597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).