methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene

C10H10F3N5S — CID 143483986

IUPACmethyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene
SMILESC/N=N/Cn1nc(Cc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C10H10F3N5S/c1-14-16-6-18-8(10(11,12)13)4-7(17-18)5-9-15-2-3-19-9/h2-4H,5-6H2,1H3/b16-14+
InChIKeyMRAYJNQTRHYUDY-JQIJEIRASA-N
MW289.29 g/mol
LogP2.99
Rot. Bonds4

About methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene

methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene (PubChem CID 143483986) has the molecular formula C10H10F3N5S and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene.

Molecular Properties

Compound Namemethyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene
PubChem CID143483986
Molecular FormulaC10H10F3N5S
Molecular Weight289.29 g/mol
Exact Mass289.06
IUPAC Namemethyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene
SMILESC/N=N/Cn1nc(Cc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C10H10F3N5S/c1-14-16-6-18-8(10(11,12)13)4-7(17-18)5-9-15-2-3-19-9/h2-4H,5-6H2,1H3/b16-14+
InChIKeyMRAYJNQTRHYUDY-JQIJEIRASA-N
XLogP2.99
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene?
The IUPAC name of methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene (CID 143483986) is methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene.
What is the SMILES notation for methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene?
The canonical SMILES for methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene is C/N=N/Cn1nc(Cc2nccs2)cc1C(F)(F)F.
What is the InChIKey of methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene?
The InChIKey is MRAYJNQTRHYUDY-JQIJEIRASA-N. The full InChI is InChI=1S/C10H10F3N5S/c1-14-16-6-18-8(10(11,12)13)4-7(17-18)5-9-15-2-3-19-9/h2-4H,5-6H2,1H3/b16-14+.
What are the key properties of methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene?
methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene has a molecular weight of 289.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene is sourced from PubChem (CID 143483986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).