4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole

C10H13BrF2N2O — CID 66887014

IUPAC4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole
SMILESCc1c(Br)c(C(F)F)nn1C1CCCCO1
InChIInChI=1S/C10H13BrF2N2O/c1-6-8(11)9(10(12)13)14-15(6)7-4-2-3-5-16-7/h7,10H,2-5H2,1H3
InChIKeyFFMLIDPCSYFZDU-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.59
Rot. Bonds2

About 4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole

4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole (PubChem CID 66887014) has the molecular formula C10H13BrF2N2O and a molecular weight of 295.13 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole
PubChem CID66887014
Molecular FormulaC10H13BrF2N2O
Molecular Weight295.13 g/mol
Exact Mass294.02
IUPAC Name4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole
SMILESCc1c(Br)c(C(F)F)nn1C1CCCCO1
InChIInChI=1S/C10H13BrF2N2O/c1-6-8(11)9(10(12)13)14-15(6)7-4-2-3-5-16-7/h7,10H,2-5H2,1H3
InChIKeyFFMLIDPCSYFZDU-UHFFFAOYSA-N
XLogP3.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole?
The IUPAC name of 4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole (CID 66887014) is 4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole is Cc1c(Br)c(C(F)F)nn1C1CCCCO1.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole?
The InChIKey is FFMLIDPCSYFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF2N2O/c1-6-8(11)9(10(12)13)14-15(6)7-4-2-3-5-16-7/h7,10H,2-5H2,1H3.
What are the key properties of 4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole?
4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole has a molecular weight of 295.13 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 66887014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).