methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate

C14H16F3N5O3 — CID 19522014

IUPACmethyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)Cn2nc(C)cc2C(F)(F)F)c(C(=O)OC)n1
InChIInChI=1S/C14H16F3N5O3/c1-4-21-6-9(12(20-21)13(24)25-3)18-11(23)7-22-10(14(15,16)17)5-8(2)19-22/h5-6H,4,7H2,1-3H3,(H,18,23)
InChIKeyKMXCXQMHTUTLIO-UHFFFAOYSA-N
MW359.31 g/mol
LogP1.85
Rot. Bonds5

About methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate

methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate (PubChem CID 19522014) has the molecular formula C14H16F3N5O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate
PubChem CID19522014
Molecular FormulaC14H16F3N5O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Namemethyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)Cn2nc(C)cc2C(F)(F)F)c(C(=O)OC)n1
InChIInChI=1S/C14H16F3N5O3/c1-4-21-6-9(12(20-21)13(24)25-3)18-11(23)7-22-10(14(15,16)17)5-8(2)19-22/h5-6H,4,7H2,1-3H3,(H,18,23)
InChIKeyKMXCXQMHTUTLIO-UHFFFAOYSA-N
XLogP1.85
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 5-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 19521769
methyl 4-[[2-(4-bromo-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19517919
methyl 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19520772
N-(1,5-dimethylpyrazol-4-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521871
1-ethyl-N-methyl-4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
CID 19519292
methyl 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19551888
methyl 4-[[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19526249
methyl 4-[[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19268071
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19522054
methyl 1-ethyl-4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19516093
N-(2-methyl-4-nitrophenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521848
N-butan-2-yl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521887

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate (CID 19522014) is methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate is CCn1cc(NC(=O)Cn2nc(C)cc2C(F)(F)F)c(C(=O)OC)n1.
What is the InChIKey of methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate?
The InChIKey is KMXCXQMHTUTLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3/c1-4-21-6-9(12(20-21)13(24)25-3)18-11(23)7-22-10(14(15,16)17)5-8(2)19-22/h5-6H,4,7H2,1-3H3,(H,18,23).
What are the key properties of methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate?
methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate has a molecular weight of 359.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxylate is sourced from PubChem (CID 19522014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).