(7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid

C14H21N3O4 — CID 177302590

About (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid

(7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid (PubChem CID 177302590) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid
• PubChem CID: 177302590
• Molecular Formula: C14H21N3O4
• Molecular Weight: 295.34 g/mol
• Exact Mass: 295.15
• IUPAC Name: (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid
• SMILES: CC[C@@H]1CN(C(=O)OC(C)(C)C)Cc2c(C(=O)O)n[nH]c21
• InChI: InChI=1S/C14H21N3O4/c1-5-8-6-17(13(20)21-14(2,3)4)7-9-10(8)15-16-11(9)12(18)19/h8H,5-7H2,1-4H3,(H,15,16)(H,18,19)/t8-/m1/s1
• InChIKey: ZTLRWDDHNNSMJH-MRVPVSSYSA-N
• XLogP: 2.35
• TPSA: 95.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.34
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid?

The IUPAC name of (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid (CID 177302590) is (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid.

What is the SMILES notation for (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid?

The canonical SMILES for (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid is CC[C@@H]1CN(C(=O)OC(C)(C)C)Cc2c(C(=O)O)n[nH]c21.

What is the InChIKey of (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid?

The InChIKey is ZTLRWDDHNNSMJH-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-5-8-6-17(13(20)21-14(2,3)4)7-9-10(8)15-16-11(9)12(18)19/h8H,5-7H2,1-4H3,(H,15,16)(H,18,19)/t8-/m1/s1.

What are the key properties of (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid?

(7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 177302590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).