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

C18H20N6O — CID 95384756

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

1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide (PubChem CID 95384756) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 95384756
• Molecular Formula: C18H20N6O
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.17
• IUPAC Name: 1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)nn1C
• InChI: InChI=1S/C18H20N6O/c1-12-10-15(22-23(12)2)18(25)21-14-6-5-7-16-13(14)11-20-24(16)17-8-3-4-9-19-17/h3-4,8-11,14H,5-7H2,1-2H3,(H,21,25)/t14-/m0/s1
• InChIKey: AMCAHRPIJSIICL-AWEZNQCLSA-N
• XLogP: 2.12
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide (CID 95384756) is 1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)nn1C.

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

The InChIKey is AMCAHRPIJSIICL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-10-15(22-23(12)2)18(25)21-14-6-5-7-16-13(14)11-20-24(16)17-8-3-4-9-19-17/h3-4,8-11,14H,5-7H2,1-2H3,(H,21,25)/t14-/m0/s1.

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

1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 95384756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).