1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid

C17H20N4O2 — CID 175835146

About 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid

1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid (PubChem CID 175835146) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
• PubChem CID: 175835146
• Molecular Formula: C17H20N4O2
• Molecular Weight: 312.37 g/mol
• Exact Mass: 312.16
• IUPAC Name: 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
• SMILES: Cc1nc(N2C[C@@H]3C(C)[C@@H]3C2)ccc1Cn1cc(C(=O)O)cn1
• InChI: InChI=1S/C17H20N4O2/c1-10-14-8-20(9-15(10)14)16-4-3-12(11(2)19-16)6-21-7-13(5-18-21)17(22)23/h3-5,7,10,14-15H,6,8-9H2,1-2H3,(H,22,23)/t10?,14-,15+
• InChIKey: GXXWUQCSULAANZ-BWXMKOSVSA-N
• XLogP: 2.04
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.37
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?

The IUPAC name of 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid (CID 175835146) is 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid.

What is the SMILES notation for 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?

The canonical SMILES for 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid is Cc1nc(N2C[C@@H]3C(C)[C@@H]3C2)ccc1Cn1cc(C(=O)O)cn1.

What is the InChIKey of 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?

The InChIKey is GXXWUQCSULAANZ-BWXMKOSVSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-14-8-20(9-15(10)14)16-4-3-12(11(2)19-16)6-21-7-13(5-18-21)17(22)23/h3-5,7,10,14-15H,6,8-9H2,1-2H3,(H,22,23)/t10?,14-,15+.

What are the key properties of 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?

1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-methyl-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 175835146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).