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

C14H11F3N4O — CID 141269233

IUPAC5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole
SMILESCc1cc(-c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)n[nH]1
InChIInChI=1S/C14H11F3N4O/c1-8-6-12(20-18-8)13-7-11(19-21-13)9-2-4-10(5-3-9)22-14(15,16)17/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyHYRRIJCRQQYXLJ-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.67
Rot. Bonds3

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

5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole (PubChem CID 141269233) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole
PubChem CID141269233
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole
SMILESCc1cc(-c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)n[nH]1
InChIInChI=1S/C14H11F3N4O/c1-8-6-12(20-18-8)13-7-11(19-21-13)9-2-4-10(5-3-9)22-14(15,16)17/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyHYRRIJCRQQYXLJ-UHFFFAOYSA-N
XLogP3.67
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole?
The IUPAC name of 5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole (CID 141269233) is 5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole?
The canonical SMILES for 5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole is Cc1cc(-c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)n[nH]1.
What is the InChIKey of 5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole?
The InChIKey is HYRRIJCRQQYXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-8-6-12(20-18-8)13-7-11(19-21-13)9-2-4-10(5-3-9)22-14(15,16)17/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole?
5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole has a molecular weight of 308.26 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]-1H-pyrazole is sourced from PubChem (CID 141269233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).