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

C8H6F3N5 — CID 59579982

IUPAC1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cn(-c2ncccn2)nc1C(F)(F)F
InChIInChI=1S/C8H6F3N5/c9-8(10,11)6-5(12)4-16(15-6)7-13-2-1-3-14-7/h1-4H,12H2
InChIKeyIXIPSSCAXDNAAO-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.26
Rot. Bonds1

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

1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 59579982) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID59579982
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC Name1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cn(-c2ncccn2)nc1C(F)(F)F
InChIInChI=1S/C8H6F3N5/c9-8(10,11)6-5(12)4-16(15-6)7-13-2-1-3-14-7/h1-4H,12H2
InChIKeyIXIPSSCAXDNAAO-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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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine (CID 59579982) is 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine is Nc1cn(-c2ncccn2)nc1C(F)(F)F.
What is the InChIKey of 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is IXIPSSCAXDNAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-8(10,11)6-5(12)4-16(15-6)7-13-2-1-3-14-7/h1-4H,12H2.
What are the key properties of 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine?
1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-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 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 59579982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).