2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine

C9H8F3N5 — CID 167425769

IUPAC2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C9H8F3N5/c10-9(11,12)5-17-4-6(3-15-17)8-14-2-1-7(13)16-8/h1-4H,5H2,(H2,13,14,16)
InChIKeyVOFRCIIDNOLOJH-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.48
Rot. Bonds2

About 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine

2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 167425769) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine
PubChem CID167425769
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(CC(F)(F)F)c2)n1
InChIInChI=1S/C9H8F3N5/c10-9(11,12)5-17-4-6(3-15-17)8-14-2-1-7(13)16-8/h1-4H,5H2,(H2,13,14,16)
InChIKeyVOFRCIIDNOLOJH-UHFFFAOYSA-N
XLogP1.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133048
US9932325, Example 190
CID 132244750
7-Aminopyrazolo(1,5-a)pyrimidine
CID 15379137
Pyrazolo[1,5-a]pyrimidin-2-amine
CID 45602167
Pyrazolo[1,5-a]pyrimidin-5-amine
CID 55285819
6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 10749494
6-Methylpyrazolo[1,5-a]pyrimidine
CID 12773553
1-Methyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134141651
2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 75398512

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine (CID 167425769) is 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine is Nc1ccnc(-c2cnn(CC(F)(F)F)c2)n1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is VOFRCIIDNOLOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c10-9(11,12)5-17-4-6(3-15-17)8-14-2-1-7(13)16-8/h1-4H,5H2,(H2,13,14,16).
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 243.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 167425769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).