2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide

C14H13F5N4O — CID 166206094

IUPAC2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide
SMILESO=C(NCCc1cc(C(F)(F)F)ccn1)c1ccnn1CC(F)F
InChIInChI=1S/C14H13F5N4O/c15-12(16)8-23-11(3-6-22-23)13(24)21-5-2-10-7-9(1-4-20-10)14(17,18)19/h1,3-4,6-7,12H,2,5,8H2,(H,21,24)
InChIKeyZVWIMUFUIIPNSM-UHFFFAOYSA-N
MW348.28 g/mol
LogP2.53
Rot. Bonds6

About 2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide

2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide (PubChem CID 166206094) has the molecular formula C14H13F5N4O and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide
PubChem CID166206094
Molecular FormulaC14H13F5N4O
Molecular Weight348.28 g/mol
Exact Mass348.10
IUPAC Name2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide
SMILESO=C(NCCc1cc(C(F)(F)F)ccn1)c1ccnn1CC(F)F
InChIInChI=1S/C14H13F5N4O/c15-12(16)8-23-11(3-6-22-23)13(24)21-5-2-10-7-9(1-4-20-10)14(17,18)19/h1,3-4,6-7,12H,2,5,8H2,(H,21,24)
InChIKeyZVWIMUFUIIPNSM-UHFFFAOYSA-N
XLogP2.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118627415
(1S,6S,7S)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
CID 164635537
1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 148990259
5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 118640468
1-[3-fluoro-4-[4-[(2-fluoro-5-hydroxyphenyl)methylcarbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118640392
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
1-[2-(2,2-difluoroethyl)pyrazol-3-yl]-2-methylpropan-1-one
CID 118673436
methyl 1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxylate
CID 118640404
tert-butyl 1-[2-fluoro-4-[5-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylate
CID 118640341
1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 158710662
3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138026736
4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide (CID 166206094) is 2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide is O=C(NCCc1cc(C(F)(F)F)ccn1)c1ccnn1CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide?
The InChIKey is ZVWIMUFUIIPNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5N4O/c15-12(16)8-23-11(3-6-22-23)13(24)21-5-2-10-7-9(1-4-20-10)14(17,18)19/h1,3-4,6-7,12H,2,5,8H2,(H,21,24).
What are the key properties of 2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide?
2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-N-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166206094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).