1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine

C9H8F3N3S — CID 155893904

IUPAC1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine
SMILESCn1nc(C(F)(F)F)c(N)c1-c1cccs1
InChIInChI=1S/C9H8F3N3S/c1-15-7(5-3-2-4-16-5)6(13)8(14-15)9(10,11)12/h2-4H,13H2,1H3
InChIKeyQWIQMNDIFOHLOS-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.75
Rot. Bonds1

About 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine

1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 155893904) has the molecular formula C9H8F3N3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID155893904
Molecular FormulaC9H8F3N3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine
SMILESCn1nc(C(F)(F)F)c(N)c1-c1cccs1
InChIInChI=1S/C9H8F3N3S/c1-15-7(5-3-2-4-16-5)6(13)8(14-15)9(10,11)12/h2-4H,13H2,1H3
InChIKeyQWIQMNDIFOHLOS-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-phenyldiazenyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate
CID 339361
4-Bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 2819997
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbaldehyde thiosemicarbazone
CID 11067581
5-(Thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155896415
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 162644500
1-Methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 162673476
2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile
CID 2821035
Cyanoimino-(1,5-dimethyl-3-thiophen-2-ylpyrazol-4-yl)-oxidoazanium
CID 53248732
Cyanoimino-(1,3-dimethyl-5-thiophen-2-ylpyrazol-4-yl)-oxidoazanium
CID 53248758
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 4076860
N-methyl-N-[[3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]methanamine
CID 279929
N,N,N'-trimethyl-N'-[[3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]ethane-1,2-diamine
CID 279932

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine (CID 155893904) is 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine is Cn1nc(C(F)(F)F)c(N)c1-c1cccs1.
What is the InChIKey of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is QWIQMNDIFOHLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S/c1-15-7(5-3-2-4-16-5)6(13)8(14-15)9(10,11)12/h2-4H,13H2,1H3.
What are the key properties of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine?
1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 247.25 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 155893904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).