5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine

C15H16F3N7 — CID 97189533

IUPAC5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine
SMILESCc1cc(C(F)(F)F)n(C[C@@H](C)Cn2cc(-c3cncnc3)nn2)n1
InChIInChI=1S/C15H16F3N7/c1-10(7-25-14(15(16,17)18)3-11(2)22-25)6-24-8-13(21-23-24)12-4-19-9-20-5-12/h3-5,8-10H,6-7H2,1-2H3/t10-/m0/s1
InChIKeyCTSQWCCECDXUOG-JTQLQIEISA-N
MW351.34 g/mol
LogP2.60
Rot. Bonds5

About 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine

5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine (PubChem CID 97189533) has the molecular formula C15H16F3N7 and a molecular weight of 351.34 g/mol. Its IUPAC name is 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine.

Molecular Properties

Compound Name5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine
PubChem CID97189533
Molecular FormulaC15H16F3N7
Molecular Weight351.34 g/mol
Exact Mass351.14
IUPAC Name5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine
SMILESCc1cc(C(F)(F)F)n(C[C@@H](C)Cn2cc(-c3cncnc3)nn2)n1
InChIInChI=1S/C15H16F3N7/c1-10(7-25-14(15(16,17)18)3-11(2)22-25)6-24-8-13(21-23-24)12-4-19-9-20-5-12/h3-5,8-10H,6-7H2,1-2H3/t10-/m0/s1
InChIKeyCTSQWCCECDXUOG-JTQLQIEISA-N
XLogP2.60
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine with MolForge

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Related Compounds

4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)propyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190898
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191208
4-N-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191509
US11214565, Example A-22
CID 135374524
6-(3,5-Dimethylpyrazolyl)-3-imidazolylpyridazine
CID 2998404
US11214565, Example A-23
CID 135374287
US11214565, Example A-55
CID 135374445
US11214565, Example A-54
CID 135374518
N-[(1-pyrimidin-2-yl-1H-pyrrol-2-yl)methyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 46984746
5-(1-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazol-4-yl)pyrimidine
CID 72850565
3-(Imidazol-1-ylmethyl)-1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97519203
Dimethyl[(2-{1-[(1,3,5-trimethylpyrazol-4-YL)methyl]pyrrolidin-2-YL}pyrimidin-4-YL)methyl]amine
CID 110117141

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine?
The IUPAC name of 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine (CID 97189533) is 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine.
What is the SMILES notation for 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine?
The canonical SMILES for 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine is Cc1cc(C(F)(F)F)n(C[C@@H](C)Cn2cc(-c3cncnc3)nn2)n1.
What is the InChIKey of 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine?
The InChIKey is CTSQWCCECDXUOG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16F3N7/c1-10(7-25-14(15(16,17)18)3-11(2)22-25)6-24-8-13(21-23-24)12-4-19-9-20-5-12/h3-5,8-10H,6-7H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine?
5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine has a molecular weight of 351.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2R)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazol-4-yl]pyrimidine is sourced from PubChem (CID 97189533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).