4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H15ClF3N5O — CID 19478689

IUPAC4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C13H15ClF3N5O/c1-4-22-8(5-6-18-22)7-20(2)12(23)10-9(14)11(13(15,16)17)19-21(10)3/h5-6H,4,7H2,1-3H3
InChIKeyIDSOCOFADDXCAG-UHFFFAOYSA-N
MW349.74 g/mol
LogP2.58
Rot. Bonds4

About 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19478689) has the molecular formula C13H15ClF3N5O and a molecular weight of 349.74 g/mol. Its IUPAC name is 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19478689
Molecular FormulaC13H15ClF3N5O
Molecular Weight349.74 g/mol
Exact Mass349.09
IUPAC Name4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C13H15ClF3N5O/c1-4-22-8(5-6-18-22)7-20(2)12(23)10-9(14)11(13(15,16)17)19-21(10)3/h5-6H,4,7H2,1-3H3
InChIKeyIDSOCOFADDXCAG-UHFFFAOYSA-N
XLogP2.58
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19478680
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19278025
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531219
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19531028
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19454341
3-(4-chloro-3-methylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19558392
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536002
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 19454355
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454392
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
CID 19507729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19478689) is 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCn1nccc1CN(C)C(=O)c1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is IDSOCOFADDXCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N5O/c1-4-22-8(5-6-18-22)7-20(2)12(23)10-9(14)11(13(15,16)17)19-21(10)3/h5-6H,4,7H2,1-3H3.
What are the key properties of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 349.74 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19478689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).