4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

C17H22F3N5 — CID 44824492

IUPAC4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(N3CCCC(C)C3)n2)c(C)n1
InChIInChI=1S/C17H22F3N5/c1-4-25-10-13(12(3)23-25)14-8-15(17(18,19)20)22-16(21-14)24-7-5-6-11(2)9-24/h8,10-11H,4-7,9H2,1-3H3
InChIKeyALGDPAYEZMKJJB-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.92
Rot. Bonds3

About 4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 44824492) has the molecular formula C17H22F3N5 and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID44824492
Molecular FormulaC17H22F3N5
Molecular Weight353.39 g/mol
Exact Mass353.18
IUPAC Name4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(N3CCCC(C)C3)n2)c(C)n1
InChIInChI=1S/C17H22F3N5/c1-4-25-10-13(12(3)23-25)14-8-15(17(18,19)20)22-16(21-14)24-7-5-6-11(2)9-24/h8,10-11H,4-7,9H2,1-3H3
InChIKeyALGDPAYEZMKJJB-UHFFFAOYSA-N
XLogP3.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 44824492) is 4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is CCn1cc(-c2cc(C(F)(F)F)nc(N3CCCC(C)C3)n2)c(C)n1.
What is the InChIKey of 4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is ALGDPAYEZMKJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5/c1-4-25-10-13(12(3)23-25)14-8-15(17(18,19)20)22-16(21-14)24-7-5-6-11(2)9-24/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 353.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 44824492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).