N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine

C8H6F3N5 — CID 134588676

IUPACN-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccncn2)n[nH]1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-3-7(16-15-5)14-6-1-2-12-4-13-6/h1-4H,(H2,12,13,14,15,16)
InChIKeyRASPMQVZBWHYPB-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.96
Rot. Bonds2

About N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine

N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 134588676) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
PubChem CID134588676
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC NameN-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccncn2)n[nH]1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-3-7(16-15-5)14-6-1-2-12-4-13-6/h1-4H,(H2,12,13,14,15,16)
InChIKeyRASPMQVZBWHYPB-UHFFFAOYSA-N
XLogP1.96
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 16659836
(S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CID 25171661
2-Methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1480446
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 60154284
US9932325, Example 109
CID 69093358
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazole-3-carbonitrile
CID 72191825
3-methyl-1-(pyrimidin-2-yl)-1H-pyrazol-5-amine
CID 43420019
2-N-butyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 166626399
2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 166628379
2-N-cyclopropyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 166630180
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 166633170
Pyrazolylpyrimidine
CID 53630866

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 134588676) is N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine is FC(F)(F)c1cc(Nc2ccncn2)n[nH]1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is RASPMQVZBWHYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-8(10,11)5-3-7(16-15-5)14-6-1-2-12-4-13-6/h1-4H,(H2,12,13,14,15,16).
What are the key properties of N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 229.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 134588676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).