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

C8H6F3N5 — CID 80868731

IUPAC4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-3-14-16(4-5)6-1-2-13-7(12)15-6/h1-4H,(H2,12,13,15)
InChIKeyMOMJFQCTWWHKHE-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.26
Rot. Bonds1

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

4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 80868731) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID80868731
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC Name4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-3-14-16(4-5)6-1-2-13-7(12)15-6/h1-4H,(H2,12,13,15)
InChIKeyMOMJFQCTWWHKHE-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

Analyze 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 80868731) is 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is Nc1nccc(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is MOMJFQCTWWHKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-8(10,11)5-3-14-16(4-5)6-1-2-13-7(12)15-6/h1-4H,(H2,12,13,15).
What are the key properties of 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
4-[4-(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-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80868731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).