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

C20H14F3N5 — CID 141288898

IUPAC4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cc(-c3cccnc3)n[nH]2)n1
InChIInChI=1S/C20H14F3N5/c1-12-9-16(13-4-6-15(7-5-13)20(21,22)23)26-19(25-12)18-10-17(27-28-18)14-3-2-8-24-11-14/h2-11H,1H3,(H,27,28)
InChIKeyHTDVHGSBWOOAFL-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.92
Rot. Bonds3

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

4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 141288898) has the molecular formula C20H14F3N5 and a molecular weight of 381.36 g/mol. Its IUPAC name is 4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID141288898
Molecular FormulaC20H14F3N5
Molecular Weight381.36 g/mol
Exact Mass381.12
IUPAC Name4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cc(-c3cccnc3)n[nH]2)n1
InChIInChI=1S/C20H14F3N5/c1-12-9-16(13-4-6-15(7-5-13)20(21,22)23)26-19(25-12)18-10-17(27-28-18)14-3-2-8-24-11-14/h2-11H,1H3,(H,27,28)
InChIKeyHTDVHGSBWOOAFL-UHFFFAOYSA-N
XLogP4.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 156866103
2-(2-pyridin-3-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 86615453
N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide
CID 46224438
2-methyl-5-(3-pyridin-3-yl-1H-pyrazol-5-yl)pyrazine
CID 141253813
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine
CID 141365269
4-methyl-6-(4-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141290043
2-(2-pyridin-3-yl-3-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 24760216
4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine
CID 141288900
4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121360262
4-methyl-2-methylsulfonyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 18356784
3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
CID 144664737

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine (CID 141288898) is 4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine is Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cc(-c3cccnc3)n[nH]2)n1.
What is the InChIKey of 4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is HTDVHGSBWOOAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5/c1-12-9-16(13-4-6-15(7-5-13)20(21,22)23)26-19(25-12)18-10-17(27-28-18)14-3-2-8-24-11-14/h2-11H,1H3,(H,27,28).
What are the key properties of 4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 381.36 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 141288898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).