(5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C11H19N3 — CID 171582036

IUPAC(5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESC[C@@H]1Cc2cn[nH]c2CN1C(C)(C)C
InChIInChI=1S/C11H19N3/c1-8-5-9-6-12-13-10(9)7-14(8)11(2,3)4/h6,8H,5,7H2,1-4H3,(H,12,13)/t8-/m1/s1
InChIKeyXAGARTVCKOSDBY-MRVPVSSYSA-N
MW193.29 g/mol
LogP1.95
Rot. Bonds

About (5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

(5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 171582036) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name(5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID171582036
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESC[C@@H]1Cc2cn[nH]c2CN1C(C)(C)C
InChIInChI=1S/C11H19N3/c1-8-5-9-6-12-13-10(9)7-14(8)11(2,3)4/h6,8H,5,7H2,1-4H3,(H,12,13)/t8-/m1/s1
InChIKeyXAGARTVCKOSDBY-MRVPVSSYSA-N
XLogP1.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane
CID 161037890
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 118699358
(4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
CID 56635030
ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
CID 162282838
methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
CID 99996671
(3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone
CID 169099979
4-(1-tert-butylpiperidin-2-yl)-1H-pyrazol-5-amine
CID 140925002
(4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride
CID 68652391
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine
CID 84717090
(4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
CID 70313944
6-methyl-1,5,6,7-tetrahydroindazol-4-one
CID 17027693

Frequently Asked Questions

What is the IUPAC name of (5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of (5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 171582036) is (5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for (5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for (5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is C[C@@H]1Cc2cn[nH]c2CN1C(C)(C)C.
What is the InChIKey of (5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is XAGARTVCKOSDBY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-5-9-6-12-13-10(9)7-14(8)11(2,3)4/h6,8H,5,7H2,1-4H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
(5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 193.29 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 171582036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).