3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide

C23H27FN6O — CID 92613685

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 92613685) has the molecular formula C23H27FN6O and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 92613685
• Molecular Formula: C23H27FN6O
• Molecular Weight: 422.51 g/mol
• Exact Mass: 422.22
• IUPAC Name: 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
• SMILES: CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)Cc3cn(C)c4ccc(F)cc34)[nH]n2)c1C
• InChI: InChI=1S/C23H27FN6O/c1-6-30-15(4)22(14(3)28-30)19-11-20(27-26-19)23(31)25-13(2)9-16-12-29(5)21-8-7-17(24)10-18(16)21/h7-8,10-13H,6,9H2,1-5H3,(H,25,31)(H,26,27)/t13-/m0/s1
• InChIKey: WURAPWJDIOCCMB-ZDUSSCGKSA-N
• XLogP: 3.90
• TPSA: 80.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.51
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide (CID 92613685) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide is CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)Cc3cn(C)c4ccc(F)cc34)[nH]n2)c1C.

What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?

The InChIKey is WURAPWJDIOCCMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H27FN6O/c1-6-30-15(4)22(14(3)28-30)19-11-20(27-26-19)23(31)25-13(2)9-16-12-29(5)21-8-7-17(24)10-18(16)21/h7-8,10-13H,6,9H2,1-5H3,(H,25,31)(H,26,27)/t13-/m0/s1.

What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 92613685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).