4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine

C12H20BrN3 — CID 64761934

IUPAC4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine
SMILESCc1nn(C2CCCC(C)C2C)c(N)c1Br
InChIInChI=1S/C12H20BrN3/c1-7-5-4-6-10(8(7)2)16-12(14)11(13)9(3)15-16/h7-8,10H,4-6,14H2,1-3H3
InChIKeyNBHGGGOFEVVUAH-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.53
Rot. Bonds1

About 4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine

4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine (PubChem CID 64761934) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine
PubChem CID64761934
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine
SMILESCc1nn(C2CCCC(C)C2C)c(N)c1Br
InChIInChI=1S/C12H20BrN3/c1-7-5-4-6-10(8(7)2)16-12(14)11(13)9(3)15-16/h7-8,10H,4-6,14H2,1-3H3
InChIKeyNBHGGGOFEVVUAH-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine (CID 64761934) is 4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine is Cc1nn(C2CCCC(C)C2C)c(N)c1Br.
What is the InChIKey of 4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine?
The InChIKey is NBHGGGOFEVVUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-7-5-4-6-10(8(7)2)16-12(14)11(13)9(3)15-16/h7-8,10H,4-6,14H2,1-3H3.
What are the key properties of 4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine?
4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine has a molecular weight of 286.22 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine is sourced from PubChem (CID 64761934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).