1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid

C11H17N3O2 — CID 83917892

IUPAC1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCC(C)N1CCc2c(C(=O)O)nn(C)c2C1
InChIInChI=1S/C11H17N3O2/c1-7(2)14-5-4-8-9(6-14)13(3)12-10(8)11(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyICEFWIIKMMXXIG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.88
Rot. Bonds2

About 1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid

1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 83917892) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID83917892
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCC(C)N1CCc2c(C(=O)O)nn(C)c2C1
InChIInChI=1S/C11H17N3O2/c1-7(2)14-5-4-8-9(6-14)13(3)12-10(8)11(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyICEFWIIKMMXXIG-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 83917892) is 1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid is CC(C)N1CCc2c(C(=O)O)nn(C)c2C1.
What is the InChIKey of 1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is ICEFWIIKMMXXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)14-5-4-8-9(6-14)13(3)12-10(8)11(15)16/h7H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid?
1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 83917892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).