1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine

C15H18BrN3 — CID 83222763

IUPAC1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine
SMILESNc1cn(-c2ccccc2Br)nc1C1CCCCC1
InChIInChI=1S/C15H18BrN3/c16-12-8-4-5-9-14(12)19-10-13(17)15(18-19)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7,17H2
InChIKeyDKLYOFOFIPBCMN-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.26
Rot. Bonds2

About 1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine

1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine (PubChem CID 83222763) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine
PubChem CID83222763
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine
SMILESNc1cn(-c2ccccc2Br)nc1C1CCCCC1
InChIInChI=1S/C15H18BrN3/c16-12-8-4-5-9-14(12)19-10-13(17)15(18-19)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7,17H2
InChIKeyDKLYOFOFIPBCMN-UHFFFAOYSA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine?
The IUPAC name of 1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine (CID 83222763) is 1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine is Nc1cn(-c2ccccc2Br)nc1C1CCCCC1.
What is the InChIKey of 1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine?
The InChIKey is DKLYOFOFIPBCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c16-12-8-4-5-9-14(12)19-10-13(17)15(18-19)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7,17H2.
What are the key properties of 1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine?
1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine is sourced from PubChem (CID 83222763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).