2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine

C10H9F3N4 — CID 118289708

IUPAC2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2nccc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C10H9F3N4/c1-6-5-7(17(2)16-6)9-14-4-3-8(15-9)10(11,12)13/h3-5H,1-2H3
InChIKeyAZWHUIDLUOUZIO-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.20
Rot. Bonds1

About 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine

2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 118289708) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID118289708
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2nccc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C10H9F3N4/c1-6-5-7(17(2)16-6)9-14-4-3-8(15-9)10(11,12)13/h3-5H,1-2H3
InChIKeyAZWHUIDLUOUZIO-UHFFFAOYSA-N
XLogP2.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958
1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-amine
CID 43316767
2-Chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 24820363
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 30464906
4,6-Dimethyl-2-pyrazol-1-ylpyrimidine
CID 13880919
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50950568
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50981973
N,N,6-trimethyl-2-(3-pyrazol-1-ylazetidin-1-yl)pyrimidin-4-amine
CID 53613729
1-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propan-2-amine
CID 56718440

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine (CID 118289708) is 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine is Cc1cc(-c2nccc(C(F)(F)F)n2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is AZWHUIDLUOUZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c1-6-5-7(17(2)16-6)9-14-4-3-8(15-9)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine?
2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 242.20 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118289708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).