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

C9H12F3N3O — CID 70967718

IUPACN-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCCn1nc(C(F)(F)F)c(NC(C)=O)c1C
InChIInChI=1S/C9H12F3N3O/c1-4-15-5(2)7(13-6(3)16)8(14-15)9(10,11)12/h4H2,1-3H3,(H,13,16)
InChIKeyDBRYMMFUPNRXNM-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.19
Rot. Bonds2

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

N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide (PubChem CID 70967718) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
PubChem CID70967718
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCCn1nc(C(F)(F)F)c(NC(C)=O)c1C
InChIInChI=1S/C9H12F3N3O/c1-4-15-5(2)7(13-6(3)16)8(14-15)9(10,11)12/h4H2,1-3H3,(H,13,16)
InChIKeyDBRYMMFUPNRXNM-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide (CID 70967718) is N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide is CCn1nc(C(F)(F)F)c(NC(C)=O)c1C.
What is the InChIKey of N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The InChIKey is DBRYMMFUPNRXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-4-15-5(2)7(13-6(3)16)8(14-15)9(10,11)12/h4H2,1-3H3,(H,13,16).
What are the key properties of N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide has a molecular weight of 235.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 70967718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).