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

C17H17ClN6O — CID 95384778

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

5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide (PubChem CID 95384778) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 95384778
• Molecular Formula: C17H17ClN6O
• Molecular Weight: 356.82 g/mol
• Exact Mass: 356.12
• IUPAC Name: 5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
• SMILES: Cn1nc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)cc1Cl
• InChI: InChI=1S/C17H17ClN6O/c1-23-15(18)9-13(22-23)17(25)21-12-5-4-6-14-11(12)10-20-24(14)16-7-2-3-8-19-16/h2-3,7-10,12H,4-6H2,1H3,(H,21,25)/t12-/m0/s1
• InChIKey: CFRGBEJXOVYGGY-LBPRGKRZSA-N
• XLogP: 2.46
• 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	356.82
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide (CID 95384778) is 5-chloro-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-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide?

The canonical SMILES for 5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide is Cn1nc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)cc1Cl.

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

The InChIKey is CFRGBEJXOVYGGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-23-15(18)9-13(22-23)17(25)21-12-5-4-6-14-11(12)10-20-24(14)16-7-2-3-8-19-16/h2-3,7-10,12H,4-6H2,1H3,(H,21,25)/t12-/m0/s1.

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

5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 356.82 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 95384778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).