1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

C15H15F3N8O — CID 164930632

IUPAC1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1nc([C@H](C)NC(=O)c2cc(C(F)(F)F)n(C)n2)n(-c2ncccn2)n1
InChIInChI=1S/C15H15F3N8O/c1-8(12-22-9(2)23-26(12)14-19-5-4-6-20-14)21-13(27)10-7-11(15(16,17)18)25(3)24-10/h4-8H,1-3H3,(H,21,27)/t8-/m0/s1
InChIKeyRZJGFJMYJCIFKO-QMMMGPOBSA-N
MW380.33 g/mol
LogP1.61
Rot. Bonds4

About 1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 164930632) has the molecular formula C15H15F3N8O and a molecular weight of 380.33 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID164930632
Molecular FormulaC15H15F3N8O
Molecular Weight380.33 g/mol
Exact Mass380.13
IUPAC Name1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1nc([C@H](C)NC(=O)c2cc(C(F)(F)F)n(C)n2)n(-c2ncccn2)n1
InChIInChI=1S/C15H15F3N8O/c1-8(12-22-9(2)23-26(12)14-19-5-4-6-20-14)21-13(27)10-7-11(15(16,17)18)25(3)24-10/h4-8H,1-3H3,(H,21,27)/t8-/m0/s1
InChIKeyRZJGFJMYJCIFKO-QMMMGPOBSA-N
XLogP1.61
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-3-carboxamide
CID 156021149
1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272012
1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162644858
2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774253
5-methyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1-propan-2-ylpyrazole-3-carboxamide
CID 128647953
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
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53625143
2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide
CID 71688915

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 164930632) is 1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1nc([C@H](C)NC(=O)c2cc(C(F)(F)F)n(C)n2)n(-c2ncccn2)n1.
What is the InChIKey of 1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is RZJGFJMYJCIFKO-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H15F3N8O/c1-8(12-22-9(2)23-26(12)14-19-5-4-6-20-14)21-13(27)10-7-11(15(16,17)18)25(3)24-10/h4-8H,1-3H3,(H,21,27)/t8-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 164930632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).