3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide

C14H16F3N5O — CID 138034677

IUPAC3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)NC(c1c(C)nn(C)c1C)C(F)(F)F
InChIInChI=1S/C14H16F3N5O/c1-7-10(9(3)22(4)21-7)12(14(15,16)17)20-13(23)11-8(2)18-5-6-19-11/h5-6,12H,1-4H3,(H,20,23)
InChIKeyBGTFGCVMUMEBHN-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.17
Rot. Bonds3

About 3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide

3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 138034677) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
PubChem CID138034677
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)NC(c1c(C)nn(C)c1C)C(F)(F)F
InChIInChI=1S/C14H16F3N5O/c1-7-10(9(3)22(4)21-7)12(14(15,16)17)20-13(23)11-8(2)18-5-6-19-11/h5-6,12H,1-4H3,(H,20,23)
InChIKeyBGTFGCVMUMEBHN-UHFFFAOYSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.17
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
Pyrazin-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143585
[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrazin-2-ylmethanone
CID 97516842
N-[(5-methylpyrazin-2-yl)methyl]-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetamide
CID 77079761
3-(piperidin-1-ylcarbonyl)-N-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propyl]pyrazine-2-carboxamide
CID 129610011
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrazinecarboxamide
CID 34852356
N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide
CID 25054951
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide
CID 35290408
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)pyrazine-2-carboxamide
CID 90588541
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrazine-2-carboxamide
CID 90614763
5-[[2,2,2-Trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690365
5-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 132381452

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide (CID 138034677) is 3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide is Cc1nccnc1C(=O)NC(c1c(C)nn(C)c1C)C(F)(F)F.
What is the InChIKey of 3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is BGTFGCVMUMEBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-7-10(9(3)22(4)21-7)12(14(15,16)17)20-13(23)11-8(2)18-5-6-19-11/h5-6,12H,1-4H3,(H,20,23).
What are the key properties of 3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide?
3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 138034677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).