3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

C15H24N4O4 — CID 146625547

IUPAC3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC1Cc2[nH]nc(C(=O)N(C)CC(C)(C)CO)c2CN1C(=O)O
InChIInChI=1S/C15H24N4O4/c1-9-5-11-10(6-19(9)14(22)23)12(17-16-11)13(21)18(4)7-15(2,3)8-20/h9,20H,5-8H2,1-4H3,(H,16,17)(H,22,23)
InChIKeyILDHJYQWKLOAGS-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.92
Rot. Bonds4

About 3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 146625547) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID146625547
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC1Cc2[nH]nc(C(=O)N(C)CC(C)(C)CO)c2CN1C(=O)O
InChIInChI=1S/C15H24N4O4/c1-9-5-11-10(6-19(9)14(22)23)12(17-16-11)13(21)18(4)7-15(2,3)8-20/h9,20H,5-8H2,1-4H3,(H,16,17)(H,22,23)
InChIKeyILDHJYQWKLOAGS-UHFFFAOYSA-N
XLogP0.92
TPSA109.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 146625547) is 3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is CC1Cc2[nH]nc(C(=O)N(C)CC(C)(C)CO)c2CN1C(=O)O.
What is the InChIKey of 3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is ILDHJYQWKLOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-9-5-11-10(6-19(9)14(22)23)12(17-16-11)13(21)18(4)7-15(2,3)8-20/h9,20H,5-8H2,1-4H3,(H,16,17)(H,22,23).
What are the key properties of 3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 146625547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).