methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate

C13H15F2N5O3 — CID 19342183

IUPACmethyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cn2nc(C(F)F)cc2C)cnn1C
InChIInChI=1S/C13H15F2N5O3/c1-7-4-8(12(14)15)18-20(7)6-10(21)17-9-5-16-19(2)11(9)13(22)23-3/h4-5,12H,6H2,1-3H3,(H,17,21)
InChIKeyASNOMJPPECVCAM-UHFFFAOYSA-N
MW327.29 g/mol
LogP1.29
Rot. Bonds5

About methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate

methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate (PubChem CID 19342183) has the molecular formula C13H15F2N5O3 and a molecular weight of 327.29 g/mol. Its IUPAC name is methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate
PubChem CID19342183
Molecular FormulaC13H15F2N5O3
Molecular Weight327.29 g/mol
Exact Mass327.11
IUPAC Namemethyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cn2nc(C(F)F)cc2C)cnn1C
InChIInChI=1S/C13H15F2N5O3/c1-7-4-8(12(14)15)18-20(7)6-10(21)17-9-5-16-19(2)11(9)13(22)23-3/h4-5,12H,6H2,1-3H3,(H,17,21)
InChIKeyASNOMJPPECVCAM-UHFFFAOYSA-N
XLogP1.29
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19519602
methyl 1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylate
CID 19342185
methyl 4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342118
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342132
methyl 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-5-carboxylate
CID 19585111
1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
CID 4777138
6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19519613
N-(5-chloro-1-methylpyrazol-4-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126833324
methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate
CID 19342061
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-hexylacetamide
CID 19523586
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19519608
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19283452

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate (CID 19342183) is methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)Cn2nc(C(F)F)cc2C)cnn1C.
What is the InChIKey of methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate?
The InChIKey is ASNOMJPPECVCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O3/c1-7-4-8(12(14)15)18-20(7)6-10(21)17-9-5-16-19(2)11(9)13(22)23-3/h4-5,12H,6H2,1-3H3,(H,17,21).
What are the key properties of methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate?
methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate has a molecular weight of 327.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 19342183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).