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

C8H6F3N5 — CID 80857111

IUPAC4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-2-4-16(15-5)6-1-3-13-7(12)14-6/h1-4H,(H2,12,13,14)
InChIKeyUHDDKRGBWQSSRT-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.26
Rot. Bonds1

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

4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 80857111) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID80857111
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC Name4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-2-4-16(15-5)6-1-3-13-7(12)14-6/h1-4H,(H2,12,13,14)
InChIKeyUHDDKRGBWQSSRT-UHFFFAOYSA-N
XLogP1.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 12581392
CID 12581392
CID 584230
CID 584230
CID 67988921
CID 67988921
CID 69093006
CID 69093006
CID 69281523
CID 69281523
CID 69281529
CID 69281529
CID 69281678
CID 69281678
CID 69281708
CID 69281708
CID 1480446
CID 1480446
CID 72945318
CID 72945318
CID 12581393
CID 12581393
CID 72191825
CID 72191825

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 80857111) is 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is Nc1nccc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is UHDDKRGBWQSSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-8(10,11)5-2-4-16(15-5)6-1-3-13-7(12)14-6/h1-4H,(H2,12,13,14).
What are the key properties of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 229.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80857111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).