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

C8H5ClF3N5 — CID 80856856

IUPAC5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1ncc(Cl)c(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C8H5ClF3N5/c9-4-3-14-7(13)15-6(4)17-2-1-5(16-17)8(10,11)12/h1-3H,(H2,13,14,15)
InChIKeyUZWRVXZIAQZYPA-UHFFFAOYSA-N
MW263.61 g/mol
LogP1.92
Rot. Bonds1

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

5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 80856856) has the molecular formula C8H5ClF3N5 and a molecular weight of 263.61 g/mol. Its IUPAC name is 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID80856856
Molecular FormulaC8H5ClF3N5
Molecular Weight263.61 g/mol
Exact Mass263.02
IUPAC Name5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1ncc(Cl)c(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C8H5ClF3N5/c9-4-3-14-7(13)15-6(4)17-2-1-5(16-17)8(10,11)12/h1-3H,(H2,13,14,15)
InChIKeyUZWRVXZIAQZYPA-UHFFFAOYSA-N
XLogP1.92
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 80856856) is 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is Nc1ncc(Cl)c(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is UZWRVXZIAQZYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N5/c9-4-3-14-7(13)15-6(4)17-2-1-5(16-17)8(10,11)12/h1-3H,(H2,13,14,15).
What are the key properties of 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 263.61 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80856856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).