N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine

C12H14F3N3S — CID 58955903

IUPACN,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine
SMILESCN(C)Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C12H14F3N3S/c1-17(2)7-8-4-5-10(19-8)9-6-11(12(13,14)15)18(3)16-9/h4-6H,7H2,1-3H3
InChIKeyNQFNXUUCALIKGA-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.23
Rot. Bonds3

About N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine

N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine (PubChem CID 58955903) has the molecular formula C12H14F3N3S and a molecular weight of 289.33 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine
PubChem CID58955903
Molecular FormulaC12H14F3N3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC NameN,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine
SMILESCN(C)Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C12H14F3N3S/c1-17(2)7-8-4-5-10(19-8)9-6-11(12(13,14)15)18(3)16-9/h4-6H,7H2,1-3H3
InChIKeyNQFNXUUCALIKGA-UHFFFAOYSA-N
XLogP3.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-thiophene-2-sulfonamide
CID 2820380
Thiophene-2-carboxamide, 5-(5-trifluoromethyl-1-methyl-3-pyrazolyl)-N,N-dimethyl-
CID 621268
N2,N2-dimethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxamide
CID 2819922
(5Z)-3-ethyl-5-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 44367072
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820331
5-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride
CID 2775671
4-Bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 2819997
1-Methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
CID 2820328
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbaldehyde thiosemicarbazone
CID 11067581
1-Methyl-5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155893904
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine (CID 58955903) is N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine is CN(C)Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.
What is the InChIKey of N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine?
The InChIKey is NQFNXUUCALIKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3S/c1-17(2)7-8-4-5-10(19-8)9-6-11(12(13,14)15)18(3)16-9/h4-6H,7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine?
N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine has a molecular weight of 289.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine is sourced from PubChem (CID 58955903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).