4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole

C7H9BrF2N2 — CID 122171506

IUPAC4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(Br)c(C(F)F)n1
InChIInChI=1S/C7H9BrF2N2/c1-4(2)12-3-5(8)6(11-12)7(9)10/h3-4,7H,1-2H3
InChIKeyYYEVVIZCONDPCP-UHFFFAOYSA-N
MW239.06 g/mol
LogP3.16
Rot. Bonds2

About 4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole

4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole (PubChem CID 122171506) has the molecular formula C7H9BrF2N2 and a molecular weight of 239.06 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole
PubChem CID122171506
Molecular FormulaC7H9BrF2N2
Molecular Weight239.06 g/mol
Exact Mass237.99
IUPAC Name4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(Br)c(C(F)F)n1
InChIInChI=1S/C7H9BrF2N2/c1-4(2)12-3-5(8)6(11-12)7(9)10/h3-4,7H,1-2H3
InChIKeyYYEVVIZCONDPCP-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole
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3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propanenitrile
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4-bromo-1-ethyl-3-methyl-1H-pyrazole
CID 4105398
(4-bromo-1-methyl-1H-pyrazol-3-yl)methanamine
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4-bromo-3-(chloromethyl)-1-methyl-1H-pyrazole
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4-bromo-1-ethyl-5-methyl-1H-pyrazole
CID 25219331
4-Bromo-1-methyl-1H-pyrazole-3-carbonitrile
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CID 46318306

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole (CID 122171506) is 4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole is CC(C)n1cc(Br)c(C(F)F)n1.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole?
The InChIKey is YYEVVIZCONDPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF2N2/c1-4(2)12-3-5(8)6(11-12)7(9)10/h3-4,7H,1-2H3.
What are the key properties of 4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole?
4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole has a molecular weight of 239.06 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 122171506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).