5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide

C10H10F3N5S — CID 54026480

IUPAC5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide
SMILESCc1c(C(N)=S)cnn1-c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C10H10F3N5S/c1-5-6(9(14)19)4-15-18(5)8-3-7(10(11,12)13)17(2)16-8/h3-4H,1-2H3,(H2,14,19)
InChIKeyLCNPKXNFMGZWEO-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.57
Rot. Bonds2

About 5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide

5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide (PubChem CID 54026480) has the molecular formula C10H10F3N5S and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide
PubChem CID54026480
Molecular FormulaC10H10F3N5S
Molecular Weight289.29 g/mol
Exact Mass289.06
IUPAC Name5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide
SMILESCc1c(C(N)=S)cnn1-c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C10H10F3N5S/c1-5-6(9(14)19)4-15-18(5)8-3-7(10(11,12)13)17(2)16-8/h3-4H,1-2H3,(H2,14,19)
InChIKeyLCNPKXNFMGZWEO-UHFFFAOYSA-N
XLogP1.57
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-Amino-4-cyano-1-(1-methyl-5-trifluoromethyl-3-pyrazolyl)pyrazole
CID 22912793
1-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-methylpyrazole-4-carbothioamide
CID 53826363
1-[5-(Difluoromethoxy)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carbothioamide
CID 53934044
1-[5-(Difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carbothioamide
CID 54211863
1-[4-Chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-5-methylpyrazole-4-carbothioamide
CID 54212918
1-[4-Bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-methylpyrazole-4-carbothioamide
CID 54260500
5-Amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide
CID 54286694
[1-(4-Fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
CID 70851823
4-Fluoro-1,5-dimethyl-3-pyrazol-1-ylpyrazole
CID 89032514
4-Fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
CID 89032531
1-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide
CID 141861726
1-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide
CID 141861728

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide?
The IUPAC name of 5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide (CID 54026480) is 5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide.
What is the SMILES notation for 5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide?
The canonical SMILES for 5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide is Cc1c(C(N)=S)cnn1-c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of 5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide?
The InChIKey is LCNPKXNFMGZWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S/c1-5-6(9(14)19)4-15-18(5)8-3-7(10(11,12)13)17(2)16-8/h3-4H,1-2H3,(H2,14,19).
What are the key properties of 5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide?
5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide has a molecular weight of 289.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide is sourced from PubChem (CID 54026480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).