N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide

C23H33N7O3 — CID 164880253

About N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide

N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 164880253) has the molecular formula C23H33N7O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
• PubChem CID: 164880253
• Molecular Formula: C23H33N7O3
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.26
• IUPAC Name: N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
• SMILES: COCc1cc(C(=O)Nc2cc(C3CC(COc4cn(C)nc4C(C)(C)C)C3)[nH]n2)n(C)n1
• InChI: InChI=1S/C23H33N7O3/c1-23(2,3)21-19(11-29(4)28-21)33-12-14-7-15(8-14)17-10-20(26-25-17)24-22(31)18-9-16(13-32-6)27-30(18)5/h9-11,14-15H,7-8,12-13H2,1-6H3,(H2,24,25,26,31)
• InChIKey: RWPZLQUPLXCZLL-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 111.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

The IUPAC name of N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide (CID 164880253) is N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide.

What is the SMILES notation for N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

The canonical SMILES for N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide is COCc1cc(C(=O)Nc2cc(C3CC(COc4cn(C)nc4C(C)(C)C)C3)[nH]n2)n(C)n1.

What is the InChIKey of N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

The InChIKey is RWPZLQUPLXCZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O3/c1-23(2,3)21-19(11-29(4)28-21)33-12-14-7-15(8-14)17-10-20(26-25-17)24-22(31)18-9-16(13-32-6)27-30(18)5/h9-11,14-15H,7-8,12-13H2,1-6H3,(H2,24,25,26,31).

What are the key properties of N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 164880253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).