N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide

C11H10F3N5O — CID 90588541

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1cnccn1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)9-1-5-19(18-9)6-4-17-10(20)8-7-15-2-3-16-8/h1-3,5,7H,4,6H2,(H,17,20)
InChIKeyWYODSSQABDQDCB-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.12
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 90588541) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide
PubChem CID90588541
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1cnccn1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)9-1-5-19(18-9)6-4-17-10(20)8-7-15-2-3-16-8/h1-3,5,7H,4,6H2,(H,17,20)
InChIKeyWYODSSQABDQDCB-UHFFFAOYSA-N
XLogP1.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-pyrazinecarboxamide
CID 2225214
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazine-2-carboxamide
CID 35520712
3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 87379832
3-[[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide
CID 171063544
3-[[3-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide
CID 172503410
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrazinecarboxamide
CID 34852356
4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 4776653
4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 4776879
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide
CID 35290408
N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide
CID 53477287
1-Piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 55085174
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 60322749

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide (CID 90588541) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide is O=C(NCCn1ccc(C(F)(F)F)n1)c1cnccn1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is WYODSSQABDQDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c12-11(13,14)9-1-5-19(18-9)6-4-17-10(20)8-7-15-2-3-16-8/h1-3,5,7H,4,6H2,(H,17,20).
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 90588541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).