N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

C9H12F3N3O — CID 19449907

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCCn1ccc(CN(C)C(=O)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-3-15-5-4-7(13-15)6-14(2)8(16)9(10,11)12/h4-5H,3,6H2,1-2H3
InChIKeyKXZMDMFMQCBHCQ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.42
Rot. Bonds3

About N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 19449907) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID19449907
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCCn1ccc(CN(C)C(=O)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-3-15-5-4-7(13-15)6-14(2)8(16)9(10,11)12/h4-5H,3,6H2,1-2H3
InChIKeyKXZMDMFMQCBHCQ-UHFFFAOYSA-N
XLogP1.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (CID 19449907) is N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is CCn1ccc(CN(C)C(=O)C(F)(F)F)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is KXZMDMFMQCBHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-3-15-5-4-7(13-15)6-14(2)8(16)9(10,11)12/h4-5H,3,6H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 235.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 19449907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).