1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine

C13H16BrN3 — CID 2971945

IUPAC1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H16BrN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-9(14)5-7-10/h4-8H,15H2,1-3H3
InChIKeyFCDQYVXCGSUWJN-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.51
Rot. Bonds1

About 1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine

1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine (PubChem CID 2971945) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine
PubChem CID2971945
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H16BrN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-9(14)5-7-10/h4-8H,15H2,1-3H3
InChIKeyFCDQYVXCGSUWJN-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine?
The IUPAC name of 1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine (CID 2971945) is 1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine is CC(C)(C)c1cc(N)n(-c2ccc(Br)cc2)n1.
What is the InChIKey of 1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine?
The InChIKey is FCDQYVXCGSUWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-9(14)5-7-10/h4-8H,15H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine?
1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine has a molecular weight of 294.20 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-tert-butylpyrazol-5-amine is sourced from PubChem (CID 2971945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).