N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane

C44H31F13N10O4 — CID 158777398

About N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane

N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane (PubChem CID 158777398) has the molecular formula C44H31F13N10O4 and a molecular weight of 1011.78 g/mol. Its IUPAC name is N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane.

Molecular Properties

• Compound Name: N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane
• PubChem CID: 158777398
• Molecular Formula: C44H31F13N10O4
• Molecular Weight: 1011.78 g/mol
• Exact Mass: 1011.24
• IUPAC Name: N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane
• SMILES: CN(C(=O)c1cc(-c2ccccn2)on1)c1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1.O=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cc(-c2ccccn2)on1.[2H]CF
• InChI: InChI=1S/C22H15F6N5O2.C21H13F6N5O2.CH3F/c1-32(20(34)18-9-19(35-31-18)17-4-2-3-7-29-17)15-10-30-33(12-15)11-13-5-6-14(21(23,24)25)8-16(13)22(26,27)28;22-20(23,24)13-5-4-12(15(7-13)21(25,26)27)10-32-11-14(9-29-32)30-19(33)17-8-18(34-31-17)16-3-1-2-6-28-16;1-2/h2-10,12H,11H2,1H3;1-9,11H,10H2,(H,30,33);1H3/i;;1D
• InChIKey: IQQGMMFPJLVZMW-PRQZKWGPSA-N
• XLogP: 11.15
• TPSA: 162.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1011.78
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane?

The IUPAC name of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane (CID 158777398) is N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane.

What is the SMILES notation for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane?

The canonical SMILES for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane is CN(C(=O)c1cc(-c2ccccn2)on1)c1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1.O=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cc(-c2ccccn2)on1.[2H]CF.

What is the InChIKey of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane?

The InChIKey is IQQGMMFPJLVZMW-PRQZKWGPSA-N. The full InChI is InChI=1S/C22H15F6N5O2.C21H13F6N5O2.CH3F/c1-32(20(34)18-9-19(35-31-18)17-4-2-3-7-29-17)15-10-30-33(12-15)11-13-5-6-14(21(23,24)25)8-16(13)22(26,27)28;22-20(23,24)13-5-4-12(15(7-13)21(25,26)27)10-32-11-14(9-29-32)30-19(33)17-8-18(34-31-17)16-3-1-2-6-28-16;1-2/h2-10,12H,11H2,1H3;1-9,11H,10H2,(H,30,33);1H3/i;;1D.

What are the key properties of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane?

N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane has a molecular weight of 1011.78 g/mol, XLogP of 11.15, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-N-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;deuterio(fluoro)methane is sourced from PubChem (CID 158777398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).