5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide

C19H22N6O2 — CID 95384654

About 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide

5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide (PubChem CID 95384654) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 95384654
• Molecular Formula: C19H22N6O2
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.18
• IUPAC Name: 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
• SMILES: CCOc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)nn1C
• InChI: InChI=1S/C19H22N6O2/c1-3-27-18-11-15(23-24(18)2)19(26)22-14-7-6-8-16-13(14)12-21-25(16)17-9-4-5-10-20-17/h4-5,9-12,14H,3,6-8H2,1-2H3,(H,22,26)/t14-/m0/s1
• InChIKey: RSKVHXAVIZZWNO-AWEZNQCLSA-N
• XLogP: 2.21
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide?

The IUPAC name of 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide (CID 95384654) is 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide?

The canonical SMILES for 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide is CCOc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)nn1C.

What is the InChIKey of 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide?

The InChIKey is RSKVHXAVIZZWNO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-27-18-11-15(23-24(18)2)19(26)22-14-7-6-8-16-13(14)12-21-25(16)17-9-4-5-10-20-17/h4-5,9-12,14H,3,6-8H2,1-2H3,(H,22,26)/t14-/m0/s1.

What are the key properties of 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide?

5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 95384654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).