5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole

C8H8BrF3N2 — CID 142746842

IUPAC5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(Br)n(CC2CC2)n1
InChIInChI=1S/C8H8BrF3N2/c9-7-3-6(8(10,11)12)13-14(7)4-5-1-2-5/h3,5H,1-2,4H2
InChIKeyKAPAXEXJJCSSLV-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.07
Rot. Bonds2

About 5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole

5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 142746842) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID142746842
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(Br)n(CC2CC2)n1
InChIInChI=1S/C8H8BrF3N2/c9-7-3-6(8(10,11)12)13-14(7)4-5-1-2-5/h3,5H,1-2,4H2
InChIKeyKAPAXEXJJCSSLV-UHFFFAOYSA-N
XLogP3.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21724031
5-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
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CID 12061635
3-Bromo-1,5-dimethyl-1H-pyrazole
CID 21724046
3-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 105486135
1H-Pyrazole, 3-bromo-5-methyl-1-(1-methylethyl)-
CID 66509449
5-bromo-1-ethyl-3-methyl-1H-pyrazole
CID 84661821
5-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole
CID 118270534
3-Bromo-5-(difluoromethyl)-1-methyl-1H-pyrazole
CID 164886200
1H-Pyrazole, 3-bromo-1-ethyl-5-methyl-
CID 66509445
3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 66509429
5-Bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
CID 90162109

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole (CID 142746842) is 5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(Br)n(CC2CC2)n1.
What is the InChIKey of 5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is KAPAXEXJJCSSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c9-7-3-6(8(10,11)12)13-14(7)4-5-1-2-5/h3,5H,1-2,4H2.
What are the key properties of 5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole?
5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 269.06 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 142746842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).