N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide

C27H33FN4O2 — CID 51068605

About N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide

N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 51068605) has the molecular formula C27H33FN4O2 and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 51068605
• Molecular Formula: C27H33FN4O2
• Molecular Weight: 464.59 g/mol
• Exact Mass: 464.26
• IUPAC Name: N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
• SMILES: CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(CC1CCCO1)C(=O)c1ccccc1F
• InChI: InChI=1S/C27H33FN4O2/c1-19(2)25-23(26(30(3)4)32(29-25)20-11-6-5-7-12-20)18-31(17-21-13-10-16-34-21)27(33)22-14-8-9-15-24(22)28/h5-9,11-12,14-15,19,21H,10,13,16-18H2,1-4H3
• InChIKey: ULQQZIPFBYKJGD-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.59
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide (CID 51068605) is N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide is CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(CC1CCCO1)C(=O)c1ccccc1F.

What is the InChIKey of N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is ULQQZIPFBYKJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O2/c1-19(2)25-23(26(30(3)4)32(29-25)20-11-6-5-7-12-20)18-31(17-21-13-10-16-34-21)27(33)22-14-8-9-15-24(22)28/h5-9,11-12,14-15,19,21H,10,13,16-18H2,1-4H3.

What are the key properties of N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide?

N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 464.59 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 51068605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).