5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine

C19H19ClF3N5O — CID 155176676

IUPAC5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCOc2cc(-c3cccc(C(F)(F)F)c3)n(C)n2)c1Cl
InChIInChI=1S/C19H19ClF3N5O/c1-3-14-17(20)18(26-11-25-14)24-7-8-29-16-10-15(28(2)27-16)12-5-4-6-13(9-12)19(21,22)23/h4-6,9-11H,3,7-8H2,1-2H3,(H,24,25,26)
InChIKeyKUESNQACHQMVFG-UHFFFAOYSA-N
MW425.84 g/mol
LogP4.60
Rot. Bonds7

About 5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine

5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine (PubChem CID 155176676) has the molecular formula C19H19ClF3N5O and a molecular weight of 425.84 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
PubChem CID155176676
Molecular FormulaC19H19ClF3N5O
Molecular Weight425.84 g/mol
Exact Mass425.12
IUPAC Name5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCOc2cc(-c3cccc(C(F)(F)F)c3)n(C)n2)c1Cl
InChIInChI=1S/C19H19ClF3N5O/c1-3-14-17(20)18(26-11-25-14)24-7-8-29-16-10-15(28(2)27-16)12-5-4-6-13(9-12)19(21,22)23/h4-6,9-11H,3,7-8H2,1-2H3,(H,24,25,26)
InChIKeyKUESNQACHQMVFG-UHFFFAOYSA-N
XLogP4.60
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine (CID 155176676) is 5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine is CCc1ncnc(NCCOc2cc(-c3cccc(C(F)(F)F)c3)n(C)n2)c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
The InChIKey is KUESNQACHQMVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O/c1-3-14-17(20)18(26-11-25-14)24-7-8-29-16-10-15(28(2)27-16)12-5-4-6-13(9-12)19(21,22)23/h4-6,9-11H,3,7-8H2,1-2H3,(H,24,25,26).
What are the key properties of 5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine has a molecular weight of 425.84 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-[2-[1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyethyl]pyrimidin-4-amine is sourced from PubChem (CID 155176676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).