5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C20H13F9N4O — CID 43049857

IUPAC5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F
InChIInChI=1S/C20H13F9N4O/c21-18(22,23)12-3-1-11(2-4-12)7-8-30-17(34)14-10-32-33(16(14)20(27,28)29)15-6-5-13(9-31-15)19(24,25)26/h1-6,9-10H,7-8H2,(H,30,34)
InChIKeyHXKNPLFAKMLXIV-UHFFFAOYSA-N
MW496.33 g/mol
LogP5.30
Rot. Bonds5

About 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 43049857) has the molecular formula C20H13F9N4O and a molecular weight of 496.33 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID43049857
Molecular FormulaC20H13F9N4O
Molecular Weight496.33 g/mol
Exact Mass496.09
IUPAC Name5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F
InChIInChI=1S/C20H13F9N4O/c21-18(22,23)12-3-1-11(2-4-12)7-8-30-17(34)14-10-32-33(16(14)20(27,28)29)15-6-5-13(9-31-15)19(24,25)26/h1-6,9-10H,7-8H2,(H,30,34)
InChIKeyHXKNPLFAKMLXIV-UHFFFAOYSA-N
XLogP5.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.33
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750
N-pyridin-4-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39953963
N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25481374
[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 87445971
N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041990
N-butyl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46429671
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 87446352
N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31810667
N-(3-aminobutyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119497605
N-(3-carbamoylphenyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25332191
N-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 18288195
N-(2-methylpropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041621

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 43049857) is 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is O=C(NCCc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is HXKNPLFAKMLXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F9N4O/c21-18(22,23)12-3-1-11(2-4-12)7-8-30-17(34)14-10-32-33(16(14)20(27,28)29)15-6-5-13(9-31-15)19(24,25)26/h1-6,9-10H,7-8H2,(H,30,34).
What are the key properties of 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 496.33 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 43049857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).