[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C13H14F3N5OS — CID 87020342

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCN(c3nccs3)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5OS/c1-19-8-9(10(18-19)13(14,15)16)11(22)20-3-5-21(6-4-20)12-17-2-7-23-12/h2,7-8H,3-6H2,1H3
InChIKeyICKDSFWSHLQVMF-UHFFFAOYSA-N
MW345.35 g/mol
LogP1.86
Rot. Bonds2

About [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 87020342) has the molecular formula C13H14F3N5OS and a molecular weight of 345.35 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID87020342
Molecular FormulaC13H14F3N5OS
Molecular Weight345.35 g/mol
Exact Mass345.09
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCN(c3nccs3)CC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5OS/c1-19-8-9(10(18-19)13(14,15)16)11(22)20-3-5-21(6-4-20)12-17-2-7-23-12/h2,7-8H,3-6H2,1H3
InChIKeyICKDSFWSHLQVMF-UHFFFAOYSA-N
XLogP1.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 87020342) is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cn1cc(C(=O)N2CCN(c3nccs3)CC2)c(C(F)(F)F)n1.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is ICKDSFWSHLQVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5OS/c1-19-8-9(10(18-19)13(14,15)16)11(22)20-3-5-21(6-4-20)12-17-2-7-23-12/h2,7-8H,3-6H2,1H3.
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 345.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 87020342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).