methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate

C15H17ClF3N5O3 — CID 110280778

IUPACmethyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)c(C)nn1C
InChIInChI=1S/C15H17ClF3N5O3/c1-6-10(11(14(26)27-5)23(4)21-6)20-13(25)8(3)24-7(2)9(16)12(22-24)15(17,18)19/h8H,1-5H3,(H,20,25)
InChIKeyVNDXNPPUHIDODX-UHFFFAOYSA-N
MW407.78 g/mol
LogP2.89
Rot. Bonds4

About methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate

methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 110280778) has the molecular formula C15H17ClF3N5O3 and a molecular weight of 407.78 g/mol. Its IUPAC name is methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
PubChem CID110280778
Molecular FormulaC15H17ClF3N5O3
Molecular Weight407.78 g/mol
Exact Mass407.10
IUPAC Namemethyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)c(C)nn1C
InChIInChI=1S/C15H17ClF3N5O3/c1-6-10(11(14(26)27-5)23(4)21-6)20-13(25)8(3)24-7(2)9(16)12(22-24)15(17,18)19/h8H,1-5H3,(H,20,25)
InChIKeyVNDXNPPUHIDODX-UHFFFAOYSA-N
XLogP2.89
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.78
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate with MolForge

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Related Compounds

methyl 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
CID 110280779
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
CID 19532076
methyl 1,3-dimethyl-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxylate
CID 110280782
methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19532027
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide
CID 19531891
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 19531870
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4770126
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19532003
(2S)-N-(4-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854340
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4769596
(2S)-2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51390032
2-O-methyl 4-O-propyl 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19531851

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate (CID 110280778) is methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)c(C)nn1C.
What is the InChIKey of methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is VNDXNPPUHIDODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N5O3/c1-6-10(11(14(26)27-5)23(4)21-6)20-13(25)8(3)24-7(2)9(16)12(22-24)15(17,18)19/h8H,1-5H3,(H,20,25).
What are the key properties of methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate?
methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 407.78 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 110280778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).