ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate

C17H19ClF3N5O3 — CID 19556113

IUPACethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C17H19ClF3N5O3/c1-3-29-16(28)10-8-22-25(2)15(10)23-11(27)6-7-26-13(9-4-5-9)12(18)14(24-26)17(19,20)21/h8-9H,3-7H2,1-2H3,(H,23,27)
InChIKeyXUJCEZOLQJBTSJ-UHFFFAOYSA-N
MW433.82 g/mol
LogP3.37
Rot. Bonds7

About ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate

ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate (PubChem CID 19556113) has the molecular formula C17H19ClF3N5O3 and a molecular weight of 433.82 g/mol. Its IUPAC name is ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate
PubChem CID19556113
Molecular FormulaC17H19ClF3N5O3
Molecular Weight433.82 g/mol
Exact Mass433.11
IUPAC Nameethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C17H19ClF3N5O3/c1-3-29-16(28)10-8-22-25(2)15(10)23-11(27)6-7-26-13(9-4-5-9)12(18)14(24-26)17(19,20)21/h8-9H,3-7H2,1-2H3,(H,23,27)
InChIKeyXUJCEZOLQJBTSJ-UHFFFAOYSA-N
XLogP3.37
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-acetyl-2-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-methylthiophene-3-carboxylate
CID 19554408
dimethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzene-1,3-dicarboxylate
CID 19554353
ethyl 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 19523225
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4771428
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecylpropanamide
CID 19554385
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
CID 19554375
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[(6-chloropyridazin-3-yl)amino]phenyl]propanamide
CID 6416419
ethyl 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19550193
ethyl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 19556260
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 19555951
ethyl 5-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19268377

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate (CID 19556113) is ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate?
The InChIKey is XUJCEZOLQJBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N5O3/c1-3-29-16(28)10-8-22-25(2)15(10)23-11(27)6-7-26-13(9-4-5-9)12(18)14(24-26)17(19,20)21/h8-9H,3-7H2,1-2H3,(H,23,27).
What are the key properties of ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate has a molecular weight of 433.82 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 19556113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).