N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide

C8H11F3N4O — CID 95755362

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESCN(C)Cc1cc(NC(=O)C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N4O/c1-15(2)4-5-3-6(14-13-5)12-7(16)8(9,10)11/h3H,4H2,1-2H3,(H2,12,13,14,16)
InChIKeyGADQQTTZXUKBOT-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.97
Rot. Bonds3

About N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 95755362) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID95755362
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESCN(C)Cc1cc(NC(=O)C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N4O/c1-15(2)4-5-3-6(14-13-5)12-7(16)8(9,10)11/h3H,4H2,1-2H3,(H2,12,13,14,16)
InChIKeyGADQQTTZXUKBOT-UHFFFAOYSA-N
XLogP0.97
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide (CID 95755362) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide is CN(C)Cc1cc(NC(=O)C(F)(F)F)n[nH]1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is GADQQTTZXUKBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-15(2)4-5-3-6(14-13-5)12-7(16)8(9,10)11/h3H,4H2,1-2H3,(H2,12,13,14,16).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 236.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 95755362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).