2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide

C12H12F3N5O — CID 58248809

IUPAC2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nccc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C12H12F3N5O/c1-7-5-8(20(2)19-7)11(21)17-6-10-16-4-3-9(18-10)12(13,14)15/h3-5H,6H2,1-2H3,(H,17,21)
InChIKeyZQBXQQMGZMGQSS-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.47
Rot. Bonds3

About 2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 58248809) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID58248809
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nccc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C12H12F3N5O/c1-7-5-8(20(2)19-7)11(21)17-6-10-16-4-3-9(18-10)12(13,14)15/h3-5H,6H2,1-2H3,(H,17,21)
InChIKeyZQBXQQMGZMGQSS-UHFFFAOYSA-N
XLogP1.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.47
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
[(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
2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774253
(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
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
2,6-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide
CID 50983198
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 53599381
3-isopropyl-1-methyl-N-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}-1H-pyrazole-5-carboxamide
CID 70713542

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide (CID 58248809) is 2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2nccc(C(F)(F)F)n2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is ZQBXQQMGZMGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-7-5-8(20(2)19-7)11(21)17-6-10-16-4-3-9(18-10)12(13,14)15/h3-5H,6H2,1-2H3,(H,17,21).
What are the key properties of 2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 299.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 58248809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).