5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole

C13H15F3N4 — CID 138052445

IUPAC5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1Cn1cc(C2CCC2)cn1
InChIInChI=1S/C13H15F3N4/c1-19-11(5-12(18-19)13(14,15)16)8-20-7-10(6-17-20)9-3-2-4-9/h5-7,9H,2-4,8H2,1H3
InChIKeyDNLIUTXYLIPKHW-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.95
Rot. Bonds3

About 5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole

5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 138052445) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID138052445
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1Cn1cc(C2CCC2)cn1
InChIInChI=1S/C13H15F3N4/c1-19-11(5-12(18-19)13(14,15)16)8-20-7-10(6-17-20)9-3-2-4-9/h5-7,9H,2-4,8H2,1H3
InChIKeyDNLIUTXYLIPKHW-UHFFFAOYSA-N
XLogP2.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole (CID 138052445) is 5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1Cn1cc(C2CCC2)cn1.
What is the InChIKey of 5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is DNLIUTXYLIPKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-19-11(5-12(18-19)13(14,15)16)8-20-7-10(6-17-20)9-3-2-4-9/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole?
5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 284.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclobutylpyrazol-1-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 138052445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).