N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide

C12H14F3N5O — CID 19340343

IUPACN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide
SMILESCCn1ncc(Cn2cc(NC(=O)C(F)(F)F)cn2)c1C
InChIInChI=1S/C12H14F3N5O/c1-3-20-8(2)9(4-17-20)6-19-7-10(5-16-19)18-11(21)12(13,14)15/h4-5,7H,3,6H2,1-2H3,(H,18,21)
InChIKeyZLXYKFKEWVLYSV-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.96
Rot. Bonds4

About N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide

N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 19340343) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide
PubChem CID19340343
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide
SMILESCCn1ncc(Cn2cc(NC(=O)C(F)(F)F)cn2)c1C
InChIInChI=1S/C12H14F3N5O/c1-3-20-8(2)9(4-17-20)6-19-7-10(5-16-19)18-11(21)12(13,14)15/h4-5,7H,3,6H2,1-2H3,(H,18,21)
InChIKeyZLXYKFKEWVLYSV-UHFFFAOYSA-N
XLogP1.96
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 9563596
N-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-3-sulfanylpropanamide
CID 177680898
N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346285
1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 84592806
(3S)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 97083193
1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103527578
N-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N'-[(1-methyl-1H-pyrazol-4-yl)methyl]urea
CID 118762532
N-(1,3-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazole-4-carboxamide
CID 132413686
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine
CID 138028320
N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 138034901
N-((1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl)-2,2,2-trifluoroacetamide
CID 4437626
1-methyl-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 4773406

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide (CID 19340343) is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide is CCn1ncc(Cn2cc(NC(=O)C(F)(F)F)cn2)c1C.
What is the InChIKey of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ZLXYKFKEWVLYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-3-20-8(2)9(4-17-20)6-19-7-10(5-16-19)18-11(21)12(13,14)15/h4-5,7H,3,6H2,1-2H3,(H,18,21).
What are the key properties of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide?
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 301.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19340343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).