N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

C7H8F3N3O — CID 47474927

IUPACN-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(C(F)(F)F)c1C
InChIInChI=1S/C7H8F3N3O/c1-3-5(7(8,9)10)12-13-6(3)11-4(2)14/h1-2H3,(H2,11,12,13,14)
InChIKeyIILWHERWLOFOJR-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.70
Rot. Bonds1

About N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 47474927) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID47474927
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC NameN-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(C(F)(F)F)c1C
InChIInChI=1S/C7H8F3N3O/c1-3-5(7(8,9)10)12-13-6(3)11-4(2)14/h1-2H3,(H2,11,12,13,14)
InChIKeyIILWHERWLOFOJR-UHFFFAOYSA-N
XLogP1.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 47474927) is N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1n[nH]c(C(F)(F)F)c1C.
What is the InChIKey of N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is IILWHERWLOFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-3-5(7(8,9)10)12-13-6(3)11-4(2)14/h1-2H3,(H2,11,12,13,14).
What are the key properties of N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 207.15 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 47474927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).