1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine

C12H6F6N6S — CID 171789239

IUPAC1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine
SMILESNc1c(-c2nc(C(F)(F)F)cs2)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C12H6F6N6S/c13-11(14,15)5-4-25-9(22-5)6-7(12(16,17)18)23-24(8(6)19)10-20-2-1-3-21-10/h1-4H,19H2
InChIKeyNGVUAQZZTMETOJ-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.41
Rot. Bonds2

About 1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine

1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine (PubChem CID 171789239) has the molecular formula C12H6F6N6S and a molecular weight of 380.28 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine
PubChem CID171789239
Molecular FormulaC12H6F6N6S
Molecular Weight380.28 g/mol
Exact Mass380.03
IUPAC Name1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine
SMILESNc1c(-c2nc(C(F)(F)F)cs2)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C12H6F6N6S/c13-11(14,15)5-4-25-9(22-5)6-7(12(16,17)18)23-24(8(6)19)10-20-2-1-3-21-10/h1-4H,19H2
InChIKeyNGVUAQZZTMETOJ-UHFFFAOYSA-N
XLogP3.41
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The IUPAC name of 1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine (CID 171789239) is 1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine.
What is the SMILES notation for 1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The canonical SMILES for 1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine is Nc1c(-c2nc(C(F)(F)F)cs2)c(C(F)(F)F)nn1-c1ncccn1.
What is the InChIKey of 1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The InChIKey is NGVUAQZZTMETOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N6S/c13-11(14,15)5-4-25-9(22-5)6-7(12(16,17)18)23-24(8(6)19)10-20-2-1-3-21-10/h1-4H,19H2.
What are the key properties of 1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine has a molecular weight of 380.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine is sourced from PubChem (CID 171789239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).