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

C17H22F3N5O3 — CID 19404437

IUPACpropan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)CCn2nc(C(F)(F)F)cc2C)c(C(=O)OC(C)C)n1
InChIInChI=1S/C17H22F3N5O3/c1-5-24-9-12(15(23-24)16(27)28-10(2)3)21-14(26)6-7-25-11(4)8-13(22-25)17(18,19)20/h8-10H,5-7H2,1-4H3,(H,21,26)
InChIKeyJMMOXPYFDLHPHU-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.02
Rot. Bonds7

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

propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate (PubChem CID 19404437) has the molecular formula C17H22F3N5O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
PubChem CID19404437
Molecular FormulaC17H22F3N5O3
Molecular Weight401.39 g/mol
Exact Mass401.17
IUPAC Namepropan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)CCn2nc(C(F)(F)F)cc2C)c(C(=O)OC(C)C)n1
InChIInChI=1S/C17H22F3N5O3/c1-5-24-9-12(15(23-24)16(27)28-10(2)3)21-14(26)6-7-25-11(4)8-13(22-25)17(18,19)20/h8-10H,5-7H2,1-4H3,(H,21,26)
InChIKeyJMMOXPYFDLHPHU-UHFFFAOYSA-N
XLogP3.02
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate with MolForge

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Related Compounds

methyl 1-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinyl]-1H-pyrazole-3-carboxylate
CID 67460010
Ethyl 1-propyl-4-(2,2,2-trifluoroethylamino)pyrazole-3-carboxylate
CID 156442988
propan-2-yl 4-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776425
methyl 4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776616
propan-2-yl 4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776896
methyl 4-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776914
1-methyl-4-({3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1H-pyrazole-5-carboxylic acid
CID 17024061
Ethyl 1-methyl-3-[[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazole-5-carboxylate
CID 19267232
Methyl 1-ethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19267779
Methyl 4-[[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19268071
Methyl 4-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19268375
Methyl 1-methyl-4-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyrazole-3-carboxylate
CID 19341449

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The IUPAC name of propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate (CID 19404437) is propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The canonical SMILES for propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate is CCn1cc(NC(=O)CCn2nc(C(F)(F)F)cc2C)c(C(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The InChIKey is JMMOXPYFDLHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O3/c1-5-24-9-12(15(23-24)16(27)28-10(2)3)21-14(26)6-7-25-11(4)8-13(22-25)17(18,19)20/h8-10H,5-7H2,1-4H3,(H,21,26).
What are the key properties of propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate has a molecular weight of 401.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-ethyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate is sourced from PubChem (CID 19404437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).