4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C10H12BrF3N2 — CID 131564678

IUPAC4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C10H12BrF3N2/c1-5(2)16-8(6-3-4-6)7(11)9(15-16)10(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyMLRGIMGDGDYZPL-UHFFFAOYSA-N
MW297.12 g/mol
LogP4.12
Rot. Bonds2

About 4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 131564678) has the molecular formula C10H12BrF3N2 and a molecular weight of 297.12 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID131564678
Molecular FormulaC10H12BrF3N2
Molecular Weight297.12 g/mol
Exact Mass296.01
IUPAC Name4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C10H12BrF3N2/c1-5(2)16-8(6-3-4-6)7(11)9(15-16)10(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyMLRGIMGDGDYZPL-UHFFFAOYSA-N
XLogP4.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 131564678) is 4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)n1nc(C(F)(F)F)c(Br)c1C1CC1.
What is the InChIKey of 4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is MLRGIMGDGDYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2/c1-5(2)16-8(6-3-4-6)7(11)9(15-16)10(12,13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 297.12 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 131564678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).