6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid

C11H17N3O2 — CID 137027793

IUPAC6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC1CC(C(=O)O)c2cnn(C(C)C)c2N1
InChIInChI=1S/C11H17N3O2/c1-6(2)14-10-9(5-12-14)8(11(15)16)4-7(3)13-10/h5-8,13H,4H2,1-3H3,(H,15,16)
InChIKeyMBIHWDZJTAVSCO-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.84
Rot. Bonds2

About 6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid

6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 137027793) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID137027793
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC1CC(C(=O)O)c2cnn(C(C)C)c2N1
InChIInChI=1S/C11H17N3O2/c1-6(2)14-10-9(5-12-14)8(11(15)16)4-7(3)13-10/h5-8,13H,4H2,1-3H3,(H,15,16)
InChIKeyMBIHWDZJTAVSCO-UHFFFAOYSA-N
XLogP1.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067823
(6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid
CID 129375486
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
5-methyl-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136837911
(6R)-6-cyclopropyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067833
(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone
CID 114639277
(6S)-6-cyclopropyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067834
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639673
(1R,9S)-4-propan-2-yl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene
CID 137067843
4-(methylsulfonylmethyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 117216809
(1S,9R)-4-propan-2-yl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene
CID 137067842
4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
CID 168800092

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 137027793) is 6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid is CC1CC(C(=O)O)c2cnn(C(C)C)c2N1.
What is the InChIKey of 6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is MBIHWDZJTAVSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6(2)14-10-9(5-12-14)8(11(15)16)4-7(3)13-10/h5-8,13H,4H2,1-3H3,(H,15,16).
What are the key properties of 6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 137027793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).