4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide

C12H13ClF3N5O2 — CID 19477423

IUPAC4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C12H13ClF3N5O2/c1-2-21-10(9(13)4-18-21)11(22)19-8-3-17-20(5-8)7-23-6-12(14,15)16/h3-5H,2,6-7H2,1H3,(H,19,22)
InChIKeyLBYRTYMZERLDDJ-UHFFFAOYSA-N
MW351.72 g/mol
LogP2.54
Rot. Bonds6

About 4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide

4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide (PubChem CID 19477423) has the molecular formula C12H13ClF3N5O2 and a molecular weight of 351.72 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide
PubChem CID19477423
Molecular FormulaC12H13ClF3N5O2
Molecular Weight351.72 g/mol
Exact Mass351.07
IUPAC Name4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C12H13ClF3N5O2/c1-2-21-10(9(13)4-18-21)11(22)19-8-3-17-20(5-8)7-23-6-12(14,15)16/h3-5H,2,6-7H2,1H3,(H,19,22)
InChIKeyLBYRTYMZERLDDJ-UHFFFAOYSA-N
XLogP2.54
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.72
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1,3-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19477131
1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19474461
4-chloro-1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19266948
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19340779
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide
CID 19410315
3-[3-[[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19470410
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19525380
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19584635
2-iodo-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340670
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475994
3-fluoro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340739
3,5-dinitro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340710

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide (CID 19477423) is 4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1cnn(COCC(F)(F)F)c1.
What is the InChIKey of 4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is LBYRTYMZERLDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N5O2/c1-2-21-10(9(13)4-18-21)11(22)19-8-3-17-20(5-8)7-23-6-12(14,15)16/h3-5H,2,6-7H2,1H3,(H,19,22).
What are the key properties of 4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 351.72 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 19477423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).