5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile

C11H9F3N4S — CID 118171813

IUPAC5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile
SMILESCc1c(N)c(C(F)(F)F)nn1Cc1ccc(C#N)s1
InChIInChI=1S/C11H9F3N4S/c1-6-9(16)10(11(12,13)14)17-18(6)5-8-3-2-7(4-15)19-8/h2-3H,5,16H2,1H3
InChIKeyRZRKIVMGRUGOPL-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.77
Rot. Bonds2

About 5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile

5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile (PubChem CID 118171813) has the molecular formula C11H9F3N4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile
PubChem CID118171813
Molecular FormulaC11H9F3N4S
Molecular Weight286.28 g/mol
Exact Mass286.05
IUPAC Name5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile
SMILESCc1c(N)c(C(F)(F)F)nn1Cc1ccc(C#N)s1
InChIInChI=1S/C11H9F3N4S/c1-6-9(16)10(11(12,13)14)17-18(6)5-8-3-2-7(4-15)19-8/h2-3H,5,16H2,1H3
InChIKeyRZRKIVMGRUGOPL-UHFFFAOYSA-N
XLogP2.77
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile
CID 2821035
5-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)thiophene-2-carbonitrile
CID 74766090
2-[[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 2821014
(Z)-2-amino-3-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methylideneamino]but-2-enedinitrile
CID 2821099
1-Methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 20767953
1-Methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
CID 21337158
1-Methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine
CID 58955800
N,N-dimethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanamine
CID 58955903
1-Methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]-1,4-diazepane
CID 59619512
3-(5-Ethylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 68329524

Frequently Asked Questions

What is the IUPAC name of 5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile (CID 118171813) is 5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile is Cc1c(N)c(C(F)(F)F)nn1Cc1ccc(C#N)s1.
What is the InChIKey of 5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile?
The InChIKey is RZRKIVMGRUGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4S/c1-6-9(16)10(11(12,13)14)17-18(6)5-8-3-2-7(4-15)19-8/h2-3H,5,16H2,1H3.
What are the key properties of 5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile?
5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile has a molecular weight of 286.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 118171813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).