(6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine

C10H17N3 — CID 137067823

IUPAC(6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
SMILESCC(C)n1ncc2c1N[C@@H](C)CC2
InChIInChI=1S/C10H17N3/c1-7(2)13-10-9(6-11-13)5-4-8(3)12-10/h6-8,12H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyCCEALIQTYBVNQE-QMMMGPOBSA-N
MW179.27 g/mol
LogP2.21
Rot. Bonds1

About (6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine

(6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine (PubChem CID 137067823) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name(6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
PubChem CID137067823
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
SMILESCC(C)n1ncc2c1N[C@@H](C)CC2
InChIInChI=1S/C10H17N3/c1-7(2)13-10-9(6-11-13)5-4-8(3)12-10/h6-8,12H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyCCEALIQTYBVNQE-QMMMGPOBSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-cyclopropyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067833
(6S)-6-cyclopropyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067834
(1R,9S)-4-propan-2-yl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene
CID 137067843
(1S,9R)-4-propan-2-yl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene
CID 137067842
6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 137027793
(6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid
CID 129375486
2-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 114197792
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114649211
(4S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 97181754
4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
CID 168800092
1,5-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 163838264
1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide
CID 122696837

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The IUPAC name of (6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine (CID 137067823) is (6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine.
What is the SMILES notation for (6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The canonical SMILES for (6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine is CC(C)n1ncc2c1N[C@@H](C)CC2.
What is the InChIKey of (6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The InChIKey is CCEALIQTYBVNQE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)13-10-9(6-11-13)5-4-8(3)12-10/h6-8,12H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of (6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
(6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine has a molecular weight of 179.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine is sourced from PubChem (CID 137067823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).