N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H12F3N5O2 — CID 126839867

IUPACN-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C12H12F3N5O2/c1-7-5-8(12(13,14)15)17-20(7)6-10(21)16-9-3-4-11(22)19(2)18-9/h3-5H,6H2,1-2H3,(H,16,18,21)
InChIKeyVCSJYVCEJJCMKR-UHFFFAOYSA-N
MW315.26 g/mol
LogP0.94
Rot. Bonds3

About N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 126839867) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.26 g/mol. Its IUPAC name is N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID126839867
Molecular FormulaC12H12F3N5O2
Molecular Weight315.26 g/mol
Exact Mass315.09
IUPAC NameN-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(=O)n(C)n1
InChIInChI=1S/C12H12F3N5O2/c1-7-5-8(12(13,14)15)17-20(7)6-10(21)16-9-3-4-11(22)19(2)18-9/h3-5H,6H2,1-2H3,(H,16,18,21)
InChIKeyVCSJYVCEJJCMKR-UHFFFAOYSA-N
XLogP0.94
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-propylacetamide
CID 1923948
N-ethyl-2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438374
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 720035
5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2257667
N-butyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 1877172
[3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl]acetic acid
CID 11630164
7-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-5,6,8,9-tetrahydro-2H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922361
3-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 72050172
2-(carbamoylamino)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 125172003
N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-oxopiperazine-1-carboxamide
CID 125524869
2-(dimethylcarbamoylamino)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 125525100

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 126839867) is N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(=O)n(C)n1.
What is the InChIKey of N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VCSJYVCEJJCMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c1-7-5-8(12(13,14)15)17-20(7)6-10(21)16-9-3-4-11(22)19(2)18-9/h3-5H,6H2,1-2H3,(H,16,18,21).
What are the key properties of N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 315.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopyridazin-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 126839867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).