methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate

C10H7F3N4O2 — CID 59250515

IUPACmethyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-n2ccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C10H7F3N4O2/c1-19-9(18)6-4-15-8(5-14-6)17-3-2-7(16-17)10(11,12)13/h2-5H,1H3
InChIKeyMHHDPPICZKVRMC-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.47
Rot. Bonds2

About methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate

methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate (PubChem CID 59250515) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate
PubChem CID59250515
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Namemethyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-n2ccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C10H7F3N4O2/c1-19-9(18)6-4-15-8(5-14-6)17-3-2-7(16-17)10(11,12)13/h2-5H,1H3
InChIKeyMHHDPPICZKVRMC-UHFFFAOYSA-N
XLogP1.47
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid
CID 59250617
Ethyl 7-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate
CID 69560135
Ethyl 8-methyl-4-(trifluoromethyl)-1,5,8-triazabicyclo[4.2.0]octa-2,4,6-triene-7-carboxylate
CID 145225186
Ethyl 1-(pyrazin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 146285137
Ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate
CID 146381536
Methyl 2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate
CID 149485690
Methyl 6-fluoroimidazo[1,2-b]pyridazine-2-carboxylate
CID 170973299
Methyl 6-chloro-5-(methylamino)-3-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate
CID 171063497
Methyl 2-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]-3-methylimidazole-4-carboxylate
CID 171789244
Ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate
CID 172739245
Methyl 6-chloro-5-(methylamino)-3-[[3-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxylate
CID 175533863
Methyl 1-pyridazin-3-yltriazole-4-carboxylate
CID 16727590

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate (CID 59250515) is methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(-n2ccc(C(F)(F)F)n2)cn1.
What is the InChIKey of methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate?
The InChIKey is MHHDPPICZKVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c1-19-9(18)6-4-15-8(5-14-6)17-3-2-7(16-17)10(11,12)13/h2-5H,1H3.
What are the key properties of methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate?
methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate has a molecular weight of 272.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 59250515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).