N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C22H27N7O — CID 124841345

About N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 124841345) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• PubChem CID: 124841345
• Molecular Formula: C22H27N7O
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.23
• IUPAC Name: N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• SMILES: CC[C@@H](C)[C@@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C22H27N7O/c1-6-12(2)20(21-23-15-9-7-8-10-16(15)24-21)25-22(30)18-11-17(26-27-18)19-13(3)28-29(5)14(19)4/h7-12,20H,6H2,1-5H3,(H,23,24)(H,25,30)(H,26,27)/t12-,20-/m1/s1
• InChIKey: AGYDWFINBUOKQY-MPBGBICISA-N
• XLogP: 3.82
• TPSA: 104.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 124841345) is N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is CC[C@@H](C)[C@@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The InChIKey is AGYDWFINBUOKQY-MPBGBICISA-N. The full InChI is InChI=1S/C22H27N7O/c1-6-12(2)20(21-23-15-9-7-8-10-16(15)24-21)25-22(30)18-11-17(26-27-18)19-13(3)28-29(5)14(19)4/h7-12,20H,6H2,1-5H3,(H,23,24)(H,25,30)(H,26,27)/t12-,20-/m1/s1.

What are the key properties of N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 124841345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).