(5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C20H31N5O — CID 51597580

About (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

(5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 51597580) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• PubChem CID: 51597580
• Molecular Formula: C20H31N5O
• Molecular Weight: 357.50 g/mol
• Exact Mass: 357.25
• IUPAC Name: (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• SMILES: Cc1cc(C)n(C[C@H](C)NC(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)n1
• InChI: InChI=1S/C20H31N5O/c1-12-9-14(3)25(24-12)11-13(2)21-19(26)18-16-10-15(20(4,5)6)7-8-17(16)22-23-18/h9,13,15H,7-8,10-11H2,1-6H3,(H,21,26)(H,22,23)/t13-,15-/m0/s1
• InChIKey: BMVPRFJFRKFILZ-ZFWWWQNUSA-N
• XLogP: 3.19
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.50
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The IUPAC name of (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 51597580) is (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

What is the SMILES notation for (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The canonical SMILES for (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1cc(C)n(C[C@H](C)NC(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)n1.

What is the InChIKey of (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The InChIKey is BMVPRFJFRKFILZ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C20H31N5O/c1-12-9-14(3)25(24-12)11-13(2)21-19(26)18-16-10-15(20(4,5)6)7-8-17(16)22-23-18/h9,13,15H,7-8,10-11H2,1-6H3,(H,21,26)(H,22,23)/t13-,15-/m0/s1.

What are the key properties of (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

(5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 51597580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).