4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

C15H18F3N5 — CID 155974055

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCC(C(F)(F)F)CC3)ncn2)n1
InChIInChI=1S/C15H18F3N5/c1-10-7-11(2)23(21-10)14-8-13(19-9-20-14)22-5-3-12(4-6-22)15(16,17)18/h7-9,12H,3-6H2,1-2H3
InChIKeyHMGKBVGYFNQFIU-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.06
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 155974055) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID155974055
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCC(C(F)(F)F)CC3)ncn2)n1
InChIInChI=1S/C15H18F3N5/c1-10-7-11(2)23(21-10)14-8-13(19-9-20-14)22-5-3-12(4-6-22)15(16,17)18/h7-9,12H,3-6H2,1-2H3
InChIKeyHMGKBVGYFNQFIU-UHFFFAOYSA-N
XLogP3.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 155974055) is 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is Cc1cc(C)n(-c2cc(N3CCC(C(F)(F)F)CC3)ncn2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is HMGKBVGYFNQFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5/c1-10-7-11(2)23(21-10)14-8-13(19-9-20-14)22-5-3-12(4-6-22)15(16,17)18/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 325.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 155974055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).