4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine

C11H15BrF3N3 — CID 64758623

IUPAC4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESCc1nn(C2CCCC(C(F)(F)F)C2)c(N)c1Br
InChIInChI=1S/C11H15BrF3N3/c1-6-9(12)10(16)18(17-6)8-4-2-3-7(5-8)11(13,14)15/h7-8H,2-5,16H2,1H3
InChIKeyWGVVEGIUUFKYBK-UHFFFAOYSA-N
MW326.16 g/mol
LogP3.83
Rot. Bonds1

About 4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine

4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (PubChem CID 64758623) has the molecular formula C11H15BrF3N3 and a molecular weight of 326.16 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
PubChem CID64758623
Molecular FormulaC11H15BrF3N3
Molecular Weight326.16 g/mol
Exact Mass325.04
IUPAC Name4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESCc1nn(C2CCCC(C(F)(F)F)C2)c(N)c1Br
InChIInChI=1S/C11H15BrF3N3/c1-6-9(12)10(16)18(17-6)8-4-2-3-7(5-8)11(13,14)15/h7-8H,2-5,16H2,1H3
InChIKeyWGVVEGIUUFKYBK-UHFFFAOYSA-N
XLogP3.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The IUPAC name of 4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (CID 64758623) is 4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.
What is the SMILES notation for 4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The canonical SMILES for 4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is Cc1nn(C2CCCC(C(F)(F)F)C2)c(N)c1Br.
What is the InChIKey of 4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The InChIKey is WGVVEGIUUFKYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3/c1-6-9(12)10(16)18(17-6)8-4-2-3-7(5-8)11(13,14)15/h7-8H,2-5,16H2,1H3.
What are the key properties of 4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine has a molecular weight of 326.16 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is sourced from PubChem (CID 64758623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).