ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate

C15H16ClF4N5O3 — CID 19535889

IUPACethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C15H16ClF4N5O3/c1-4-28-15(27)7-5-21-24(3)13(7)22-14(26)6(2)25-10(12(19)20)8(16)9(23-25)11(17)18/h5-6,11-12H,4H2,1-3H3,(H,22,26)
InChIKeyVEMDACTXJLEVGW-UHFFFAOYSA-N
MW425.77 g/mol
LogP3.52
Rot. Bonds7

About ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate

ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate (PubChem CID 19535889) has the molecular formula C15H16ClF4N5O3 and a molecular weight of 425.77 g/mol. Its IUPAC name is ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate
PubChem CID19535889
Molecular FormulaC15H16ClF4N5O3
Molecular Weight425.77 g/mol
Exact Mass425.09
IUPAC Nameethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C15H16ClF4N5O3/c1-4-28-15(27)7-5-21-24(3)13(7)22-14(26)6(2)25-10(12(19)20)8(16)9(23-25)11(17)18/h5-6,11-12H,4H2,1-3H3,(H,22,26)
InChIKeyVEMDACTXJLEVGW-UHFFFAOYSA-N
XLogP3.52
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.77
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19535713
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide
CID 19535723
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19475977
ethyl 5-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19477093
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 19535671
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535930
ethyl 5-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19268660
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
CID 19535664
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19535926
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 19535692
ethyl 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19474982

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate (CID 19535889) is ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F.
What is the InChIKey of ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate?
The InChIKey is VEMDACTXJLEVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF4N5O3/c1-4-28-15(27)7-5-21-24(3)13(7)22-14(26)6(2)25-10(12(19)20)8(16)9(23-25)11(17)18/h5-6,11-12H,4H2,1-3H3,(H,22,26).
What are the key properties of ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate has a molecular weight of 425.77 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 19535889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).