1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole

C16H15F3N4O — CID 118864288

IUPAC1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole
SMILESCc1cc(Cn2cc(-c3cccc(OC(F)(F)F)c3)cn2)n(C)n1
InChIInChI=1S/C16H15F3N4O/c1-11-6-14(22(2)21-11)10-23-9-13(8-20-23)12-4-3-5-15(7-12)24-16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyIOTYDSRQXWYEOM-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.54
Rot. Bonds4

About 1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole

1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole (PubChem CID 118864288) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole
PubChem CID118864288
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole
SMILESCc1cc(Cn2cc(-c3cccc(OC(F)(F)F)c3)cn2)n(C)n1
InChIInChI=1S/C16H15F3N4O/c1-11-6-14(22(2)21-11)10-23-9-13(8-20-23)12-4-3-5-15(7-12)24-16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyIOTYDSRQXWYEOM-UHFFFAOYSA-N
XLogP3.54
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole?
The IUPAC name of 1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole (CID 118864288) is 1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole is Cc1cc(Cn2cc(-c3cccc(OC(F)(F)F)c3)cn2)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole?
The InChIKey is IOTYDSRQXWYEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-11-6-14(22(2)21-11)10-23-9-13(8-20-23)12-4-3-5-15(7-12)24-16(17,18)19/h3-9H,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole?
1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole has a molecular weight of 336.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[4-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 118864288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).