2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole

C12H10F3N5S — CID 1482186

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole
SMILESCc1cc(C(F)(F)F)n(-c2nc(Cn3cccn3)cs2)n1
InChIInChI=1S/C12H10F3N5S/c1-8-5-10(12(13,14)15)20(18-8)11-17-9(7-21-11)6-19-4-2-3-16-19/h2-5,7H,6H2,1H3
InChIKeyBKQSCZMAYWPGQR-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.90
Rot. Bonds3

About 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole (PubChem CID 1482186) has the molecular formula C12H10F3N5S and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole
PubChem CID1482186
Molecular FormulaC12H10F3N5S
Molecular Weight313.31 g/mol
Exact Mass313.06
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole
SMILESCc1cc(C(F)(F)F)n(-c2nc(Cn3cccn3)cs2)n1
InChIInChI=1S/C12H10F3N5S/c1-8-5-10(12(13,14)15)20(18-8)11-17-9(7-21-11)6-19-4-2-3-16-19/h2-5,7H,6H2,1H3
InChIKeyBKQSCZMAYWPGQR-UHFFFAOYSA-N
XLogP2.90
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole (CID 1482186) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole is Cc1cc(C(F)(F)F)n(-c2nc(Cn3cccn3)cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole?
The InChIKey is BKQSCZMAYWPGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5S/c1-8-5-10(12(13,14)15)20(18-8)11-17-9(7-21-11)6-19-4-2-3-16-19/h2-5,7H,6H2,1H3.
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole has a molecular weight of 313.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 1482186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).