4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole

C13H21BrN2 — CID 64740844

IUPAC4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole
SMILESCc1nn(C2CCC(C)C(C)C2)c(C)c1Br
InChIInChI=1S/C13H21BrN2/c1-8-5-6-12(7-9(8)2)16-11(4)13(14)10(3)15-16/h8-9,12H,5-7H2,1-4H3
InChIKeyKUKSUJBTIBKREO-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.26
Rot. Bonds1

About 4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole

4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole (PubChem CID 64740844) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole
PubChem CID64740844
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole
SMILESCc1nn(C2CCC(C)C(C)C2)c(C)c1Br
InChIInChI=1S/C13H21BrN2/c1-8-5-6-12(7-9(8)2)16-11(4)13(14)10(3)15-16/h8-9,12H,5-7H2,1-4H3
InChIKeyKUKSUJBTIBKREO-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 64740273
1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 64738078
1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine
CID 64746819
1-[1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 64737864
1-(3,4-dimethylcyclohexyl)-3-methylpyrazole
CID 64738875
1-(3,4-dimethylcyclohexyl)-5-methyltriazole-4-carboxylic acid
CID 64739872
1-(3,4-dimethylcyclohexyl)-3-iodo-1,2,4-triazole
CID 79784722
1-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)cyclohexane-1-carboxamide
CID 79637457
4-bromo-1-cyclobutyl-3-methylpyrazol-5-amine
CID 81251870
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79624943
4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine
CID 64761934
4-(3,4,5-trimethylpyrazol-1-yl)piperidine
CID 61346158

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole (CID 64740844) is 4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole is Cc1nn(C2CCC(C)C(C)C2)c(C)c1Br.
What is the InChIKey of 4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole?
The InChIKey is KUKSUJBTIBKREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-8-5-6-12(7-9(8)2)16-11(4)13(14)10(3)15-16/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole?
4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole has a molecular weight of 285.23 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3,4-dimethylcyclohexyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 64740844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).