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

C14H14F3N3O2 — CID 2809602

IUPACN-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(C)=O)cc1
InChIInChI=1S/C14H14F3N3O2/c1-8(21)18-13-11(9-4-6-10(22-3)7-5-9)12(14(15,16)17)19-20(13)2/h4-7H,1-3H3,(H,18,21)
InChIKeyRSTUJXDWEXYPED-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.07
Rot. Bonds3

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

N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide (PubChem CID 2809602) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
PubChem CID2809602
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(C)=O)cc1
InChIInChI=1S/C14H14F3N3O2/c1-8(21)18-13-11(9-4-6-10(22-3)7-5-9)12(14(15,16)17)19-20(13)2/h4-7H,1-3H3,(H,18,21)
InChIKeyRSTUJXDWEXYPED-UHFFFAOYSA-N
XLogP3.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-Methyl-3-(trifluoromethyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-yl]-3-(2,4-difluorophenyl)urea
CID 2810117
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 16026463
1-benzyl-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 970025
N-[2-[[2-(2-cyanoethyl)-5-(4-methoxyphenyl)pyrazol-3-yl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 2117585
1-[1-Methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-yl]-3-(3-methoxyphenyl)urea
CID 2810120
(3R,4R)-4-methyl-5-oxo-N-[5-[3-(trifluoromethoxy)phenyl]-1-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476561
US9763922, Example 142
CID 121372865
1-[1-Benzyl-3-(2,2-difluorocyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea
CID 118715839
4-methoxy-N-[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 2811599
3-(4-Methoxyphenyl)-1-methyl-1H-pyrazol-5-amine
CID 6484153
2-(2-(4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-ylamino)-2-oxoethylthio)acetic acid
CID 2809956
1-Tert-butyl-3-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 2810119

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide (CID 2809602) is N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide is COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(C)=O)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
The InChIKey is RSTUJXDWEXYPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8(21)18-13-11(9-4-6-10(22-3)7-5-9)12(14(15,16)17)19-20(13)2/h4-7H,1-3H3,(H,18,21).
What are the key properties of N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide has a molecular weight of 313.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 2809602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).