N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C15H14ClF5N4O2 — CID 59580171

IUPACN-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCC(COc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C15H14ClF5N4O2/c1-7(23-13(26)9-5-25(2)24-11(9)12(17)18)6-27-14-10(16)3-8(4-22-14)15(19,20)21/h3-5,7,12H,6H2,1-2H3,(H,23,26)
InChIKeyFYCVIZYSLHVMSH-UHFFFAOYSA-N
MW412.75 g/mol
LogP3.62
Rot. Bonds6

About N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 59580171) has the molecular formula C15H14ClF5N4O2 and a molecular weight of 412.75 g/mol. Its IUPAC name is N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID59580171
Molecular FormulaC15H14ClF5N4O2
Molecular Weight412.75 g/mol
Exact Mass412.07
IUPAC NameN-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCC(COc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C15H14ClF5N4O2/c1-7(23-13(26)9-5-25(2)24-11(9)12(17)18)6-27-14-10(16)3-8(4-22-14)15(19,20)21/h3-5,7,12H,6H2,1-2H3,(H,23,26)
InChIKeyFYCVIZYSLHVMSH-UHFFFAOYSA-N
XLogP3.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 59580171) is N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is CC(COc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1cn(C)nc1C(F)F.
What is the InChIKey of N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is FYCVIZYSLHVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF5N4O2/c1-7(23-13(26)9-5-25(2)24-11(9)12(17)18)6-27-14-10(16)3-8(4-22-14)15(19,20)21/h3-5,7,12H,6H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 412.75 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 59580171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).