1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide

C13H16F3N5O2 — CID 19474461

IUPAC1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cnn(COCC(F)(F)F)c2)c(C)n1
InChIInChI=1S/C13H16F3N5O2/c1-3-20-6-11(9(2)19-20)12(22)18-10-4-17-21(5-10)8-23-7-13(14,15)16/h4-6H,3,7-8H2,1-2H3,(H,18,22)
InChIKeyHWOBDUKOFGUJSI-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.20
Rot. Bonds6

About 1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide

1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide (PubChem CID 19474461) has the molecular formula C13H16F3N5O2 and a molecular weight of 331.30 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide
PubChem CID19474461
Molecular FormulaC13H16F3N5O2
Molecular Weight331.30 g/mol
Exact Mass331.13
IUPAC Name1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cnn(COCC(F)(F)F)c2)c(C)n1
InChIInChI=1S/C13H16F3N5O2/c1-3-20-6-11(9(2)19-20)12(22)18-10-4-17-21(5-10)8-23-7-13(14,15)16/h4-6H,3,7-8H2,1-2H3,(H,18,22)
InChIKeyHWOBDUKOFGUJSI-UHFFFAOYSA-N
XLogP2.20
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
4-chloro-1,3-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19477131
2-iodo-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340670
4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19477423
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
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474193
3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole-4-carboxylic acid
CID 106705200
3,5-dinitro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340710
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
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468641

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide (CID 19474461) is 1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cnn(COCC(F)(F)F)c2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide?
The InChIKey is HWOBDUKOFGUJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O2/c1-3-20-6-11(9(2)19-20)12(22)18-10-4-17-21(5-10)8-23-7-13(14,15)16/h4-6H,3,7-8H2,1-2H3,(H,18,22).
What are the key properties of 1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide?
1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 19474461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).