2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide

C14H16F3N5O — CID 56878322

IUPAC2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H16F3N5O/c1-3-22-10(4-7-19-22)13(23)18-6-5-12-20-9(2)8-11(21-12)14(15,16)17/h4,7-8H,3,5-6H2,1-2H3,(H,18,23)
InChIKeyDFTXWUDJAMUYQY-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.99
Rot. Bonds5

About 2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide

2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide (PubChem CID 56878322) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide
PubChem CID56878322
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H16F3N5O/c1-3-22-10(4-7-19-22)13(23)18-6-5-12-20-9(2)8-11(21-12)14(15,16)17/h4,7-8H,3,5-6H2,1-2H3,(H,18,23)
InChIKeyDFTXWUDJAMUYQY-UHFFFAOYSA-N
XLogP1.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
US10093651, Example 2
CID 122632282
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(1,5-dimethyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 130298623
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272012
US9932325, Example 130
CID 132244703
2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774253
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906482
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 28099779
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
CID 28785555

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide (CID 56878322) is 2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide?
The InChIKey is DFTXWUDJAMUYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-3-22-10(4-7-19-22)13(23)18-6-5-12-20-9(2)8-11(21-12)14(15,16)17/h4,7-8H,3,5-6H2,1-2H3,(H,18,23).
What are the key properties of 2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide?
2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56878322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).