1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine

C8H6F3N5 — CID 170699249

IUPAC1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine
SMILESNc1cnn(-c2ncc(C(F)(F)F)cn2)c1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-1-13-7(14-2-5)16-4-6(12)3-15-16/h1-4H,12H2
InChIKeyNXEHXNWREYMFTG-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.26
Rot. Bonds1

About 1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine

1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine (PubChem CID 170699249) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine
PubChem CID170699249
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC Name1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine
SMILESNc1cnn(-c2ncc(C(F)(F)F)cn2)c1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-1-13-7(14-2-5)16-4-6(12)3-15-16/h1-4H,12H2
InChIKeyNXEHXNWREYMFTG-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

2-(4-aminopyrazol-1-yl)pyrimidine-5-carboxylic acid
CID 84778179
1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine
CID 153285852
5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-4-amine
CID 134821905
1-[2-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 57416966
molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine
CID 153387486
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 82995990
3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
CID 102988586
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662
1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 83807314
3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 80752611
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 115319990

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine?
The IUPAC name of 1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine (CID 170699249) is 1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine is Nc1cnn(-c2ncc(C(F)(F)F)cn2)c1.
What is the InChIKey of 1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine?
The InChIKey is NXEHXNWREYMFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-8(10,11)5-1-13-7(14-2-5)16-4-6(12)3-15-16/h1-4H,12H2.
What are the key properties of 1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine?
1-[5-(trifluoromethyl)pyrimidin-2-yl]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-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine is sourced from PubChem (CID 170699249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).