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

C11H20F3N3O — CID 144617155

IUPACethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC.CC.CC(=O)Nc1n[nH]c(C(F)(F)F)c1C
InChIInChI=1S/C7H8F3N3O.2C2H6/c1-3-5(7(8,9)10)12-13-6(3)11-4(2)14;2*1-2/h1-2H3,(H2,11,12,13,14);2*1-2H3
InChIKeyNXVYQJCIARNQMJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.75
Rot. Bonds1

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

ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 144617155) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID144617155
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Nameethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC.CC.CC(=O)Nc1n[nH]c(C(F)(F)F)c1C
InChIInChI=1S/C7H8F3N3O.2C2H6/c1-3-5(7(8,9)10)12-13-6(3)11-4(2)14;2*1-2/h1-2H3,(H2,11,12,13,14);2*1-2H3
InChIKeyNXVYQJCIARNQMJ-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Trifluoroacetylamino-5-methylpyrazole
CID 15312520
N-(4,5-dicyano-1H-pyrazol-3-yl)acetamide
CID 299647
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717284
2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 47477433
N-(4-Chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoro-acetamide
CID 21071162
N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 47474927
N-[4-iodo-3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717285
N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane
CID 144693622
2-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 177733257
3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 47477420
tert-butyl N-methyl-N-[4-[[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]-4-oxobutyl]carbamate
CID 53623688
3,3,3-trifluoro-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 60974181

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 144617155) is ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is CC.CC.CC(=O)Nc1n[nH]c(C(F)(F)F)c1C.
What is the InChIKey of ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is NXVYQJCIARNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O.2C2H6/c1-3-5(7(8,9)10)12-13-6(3)11-4(2)14;2*1-2/h1-2H3,(H2,11,12,13,14);2*1-2H3.
What are the key properties of ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 267.29 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 144617155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).