1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole

C15H13F3N4O — CID 118864260

IUPAC1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole
SMILESCn1ccc(Cn2cc(-c3cccc(OC(F)(F)F)c3)cn2)n1
InChIInChI=1S/C15H13F3N4O/c1-21-6-5-13(20-21)10-22-9-12(8-19-22)11-3-2-4-14(7-11)23-15(16,17)18/h2-9H,10H2,1H3
InChIKeyCPBUZCHPDATVEU-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.23
Rot. Bonds4

About 1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole

1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole (PubChem CID 118864260) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole
PubChem CID118864260
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole
SMILESCn1ccc(Cn2cc(-c3cccc(OC(F)(F)F)c3)cn2)n1
InChIInChI=1S/C15H13F3N4O/c1-21-6-5-13(20-21)10-22-9-12(8-19-22)11-3-2-4-14(7-11)23-15(16,17)18/h2-9H,10H2,1H3
InChIKeyCPBUZCHPDATVEU-UHFFFAOYSA-N
XLogP3.23
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole?
The IUPAC name of 1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole (CID 118864260) is 1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole is Cn1ccc(Cn2cc(-c3cccc(OC(F)(F)F)c3)cn2)n1.
What is the InChIKey of 1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole?
The InChIKey is CPBUZCHPDATVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-21-6-5-13(20-21)10-22-9-12(8-19-22)11-3-2-4-14(7-11)23-15(16,17)18/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole?
1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole has a molecular weight of 322.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 118864260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).