4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C12H9F3N6O — CID 171789288

IUPAC4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1nocc1-c1c(C(F)(F)F)nn(-c2ncccn2)c1N
InChIInChI=1S/C12H9F3N6O/c1-6-7(5-22-20-6)8-9(12(13,14)15)19-21(10(8)16)11-17-3-2-4-18-11/h2-5H,16H2,1H3
InChIKeyZUUTYVBUTRAOJY-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.23
Rot. Bonds2

About 4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789288) has the molecular formula C12H9F3N6O and a molecular weight of 310.24 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789288
Molecular FormulaC12H9F3N6O
Molecular Weight310.24 g/mol
Exact Mass310.08
IUPAC Name4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1nocc1-c1c(C(F)(F)F)nn(-c2ncccn2)c1N
InChIInChI=1S/C12H9F3N6O/c1-6-7(5-22-20-6)8-9(12(13,14)15)19-21(10(8)16)11-17-3-2-4-18-11/h2-5H,16H2,1H3
InChIKeyZUUTYVBUTRAOJY-UHFFFAOYSA-N
XLogP2.23
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 171789288) is 4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is Cc1nocc1-c1c(C(F)(F)F)nn(-c2ncccn2)c1N.
What is the InChIKey of 4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is ZUUTYVBUTRAOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6O/c1-6-7(5-22-20-6)8-9(12(13,14)15)19-21(10(8)16)11-17-3-2-4-18-11/h2-5H,16H2,1H3.
What are the key properties of 4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 310.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).