N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C22H20F6N4O2 — CID 55651704

IUPACN-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H20F6N4O2/c1-13(2)19-16(11-30-32(19)18-9-8-15(10-29-18)21(23,24)25)20(33)31(3)12-14-6-4-5-7-17(14)34-22(26,27)28/h4-11,13H,12H2,1-3H3
InChIKeyUGFKRRSXTJMSBE-UHFFFAOYSA-N
MW486.42 g/mol
LogP5.58
Rot. Bonds6

About N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 55651704) has the molecular formula C22H20F6N4O2 and a molecular weight of 486.42 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID55651704
Molecular FormulaC22H20F6N4O2
Molecular Weight486.42 g/mol
Exact Mass486.15
IUPAC NameN-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H20F6N4O2/c1-13(2)19-16(11-30-32(19)18-9-8-15(10-29-18)21(23,24)25)20(33)31(3)12-14-6-4-5-7-17(14)34-22(26,27)28/h4-11,13H,12H2,1-3H3
InChIKeyUGFKRRSXTJMSBE-UHFFFAOYSA-N
XLogP5.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.42
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 55651704) is N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC(C)c1c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is UGFKRRSXTJMSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N4O2/c1-13(2)19-16(11-30-32(19)18-9-8-15(10-29-18)21(23,24)25)20(33)31(3)12-14-6-4-5-7-17(14)34-22(26,27)28/h4-11,13H,12H2,1-3H3.
What are the key properties of N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 486.42 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55651704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).