3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide

C23H21F2N5O2 — CID 19514245

About 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide

3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19514245) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 19514245
• Molecular Formula: C23H21F2N5O2
• Molecular Weight: 437.45 g/mol
• Exact Mass: 437.17
• IUPAC Name: 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
• SMILES: Cc1cc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccc(OC(F)F)cc4)n[nH]3)c2)n1
• InChI: InChI=1S/C23H21F2N5O2/c1-14-10-15(2)30(29-14)13-16-4-3-5-18(11-16)26-22(31)21-12-20(27-28-21)17-6-8-19(9-7-17)32-23(24)25/h3-12,23H,13H2,1-2H3,(H,26,31)(H,27,28)
• InChIKey: LKKMMCWRXCGCKL-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 84.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.45
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide (CID 19514245) is 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccc(OC(F)F)cc4)n[nH]3)c2)n1.

What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?

The InChIKey is LKKMMCWRXCGCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O2/c1-14-10-15(2)30(29-14)13-16-4-3-5-18(11-16)26-22(31)21-12-20(27-28-21)17-6-8-19(9-7-17)32-23(24)25/h3-12,23H,13H2,1-2H3,(H,26,31)(H,27,28).

What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide?

3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).