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

C14H11F6N3O — CID 2809603

IUPACN-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)nn1C
InChIInChI=1S/C14H11F6N3O/c1-7(24)21-12-10(11(14(18,19)20)22-23(12)2)8-4-3-5-9(6-8)13(15,16)17/h3-6H,1-2H3,(H,21,24)
InChIKeyNHRUKVYEJWIRGA-UHFFFAOYSA-N
MW351.25 g/mol
LogP4.08
Rot. Bonds2

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

N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide (PubChem CID 2809603) has the molecular formula C14H11F6N3O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide
PubChem CID2809603
Molecular FormulaC14H11F6N3O
Molecular Weight351.25 g/mol
Exact Mass351.08
IUPAC NameN-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)nn1C
InChIInChI=1S/C14H11F6N3O/c1-7(24)21-12-10(11(14(18,19)20)22-23(12)2)8-4-3-5-9(6-8)13(15,16)17/h3-6H,1-2H3,(H,21,24)
InChIKeyNHRUKVYEJWIRGA-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
5-Methyl-3-phenyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875697
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
4-(Trifluoromethyl)-3-[3-(Trifluoromethyl)phenyl]-1,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135566520
4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135646605
N-[4-(4-bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-fluorophenyl)acetamide
CID 2809416
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118
1-[4-(4-Fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CID 2810694
1-(4-Fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
CID 2810697

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide?
The IUPAC name of N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide (CID 2809603) is N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide is CC(=O)Nc1c(-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)nn1C.
What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide?
The InChIKey is NHRUKVYEJWIRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3O/c1-7(24)21-12-10(11(14(18,19)20)22-23(12)2)8-4-3-5-9(6-8)13(15,16)17/h3-6H,1-2H3,(H,21,24).
What are the key properties of N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide?
N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide has a molecular weight of 351.25 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide is sourced from PubChem (CID 2809603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).