4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine

C15H11F3N4 — CID 162286715

IUPAC4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine
SMILESCc1cc(-c2cc(C(F)(F)F)[nH]n2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H11F3N4/c1-9-7-11(12-8-13(22-21-12)15(16,17)18)20-14(19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,21,22)
InChIKeyODHHLSLCUKWVTL-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.86
Rot. Bonds2

About 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine

4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine (PubChem CID 162286715) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine
PubChem CID162286715
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine
SMILESCc1cc(-c2cc(C(F)(F)F)[nH]n2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H11F3N4/c1-9-7-11(12-8-13(22-21-12)15(16,17)18)20-14(19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,21,22)
InChIKeyODHHLSLCUKWVTL-UHFFFAOYSA-N
XLogP3.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Enmd-2076
CID 16041424
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
2-(1,1-Difluoroethyl)-5-Methyl-N-[4-(Trifluoromethyl)phenyl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 51349276
4,6-dimethyl-2-{(2E)-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}pyrimidine
CID 135654413
N-[5-(2-aminophenyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine
CID 943408
5-(4-Fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1242754
2-(4-Fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 804443
N-(tert-butyl)-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1207992
2,5-dimethyl-N-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3235793

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine?
The IUPAC name of 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine (CID 162286715) is 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine is Cc1cc(-c2cc(C(F)(F)F)[nH]n2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine?
The InChIKey is ODHHLSLCUKWVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c1-9-7-11(12-8-13(22-21-12)15(16,17)18)20-14(19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,21,22).
What are the key properties of 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine?
4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine has a molecular weight of 304.28 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 162286715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).