4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid

C21H19N5O2 — CID 56744822

About 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid

4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 56744822) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid
• PubChem CID: 56744822
• Molecular Formula: C21H19N5O2
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.15
• IUPAC Name: 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid
• SMILES: O=C(O)c1[nH]ncc1CN1CCc2[nH]nc(-c3cccc4ccccc34)c2C1
• InChI: InChI=1S/C21H19N5O2/c27-21(28)19-14(10-22-24-19)11-26-9-8-18-17(12-26)20(25-23-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,10H,8-9,11-12H2,(H,22,24)(H,23,25)(H,27,28)
• InChIKey: QNDYNVGKJRLOCV-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 97.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid?

The IUPAC name of 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid (CID 56744822) is 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid.

What is the SMILES notation for 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid?

The canonical SMILES for 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]ncc1CN1CCc2[nH]nc(-c3cccc4ccccc34)c2C1.

What is the InChIKey of 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid?

The InChIKey is QNDYNVGKJRLOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-21(28)19-14(10-22-24-19)11-26-9-8-18-17(12-26)20(25-23-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,10H,8-9,11-12H2,(H,22,24)(H,23,25)(H,27,28).

What are the key properties of 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid?

4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 373.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 56744822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).