1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine

C15H16BrN5 — CID 83204713

IUPAC1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1-c1nn(-c2cccc(Br)c2)cc1N
InChIInChI=1S/C15H16BrN5/c1-9-14(10(2)20(3)18-9)15-13(17)8-21(19-15)12-6-4-5-11(16)7-12/h4-8H,17H2,1-3H3
InChIKeyNXVPTUAKYBJPCO-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.23
Rot. Bonds2

About 1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine

1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine (PubChem CID 83204713) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
PubChem CID83204713
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1-c1nn(-c2cccc(Br)c2)cc1N
InChIInChI=1S/C15H16BrN5/c1-9-14(10(2)20(3)18-9)15-13(17)8-21(19-15)12-6-4-5-11(16)7-12/h4-8H,17H2,1-3H3
InChIKeyNXVPTUAKYBJPCO-UHFFFAOYSA-N
XLogP3.23
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine (CID 83204713) is 1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine is Cc1nn(C)c(C)c1-c1nn(-c2cccc(Br)c2)cc1N.
What is the InChIKey of 1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The InChIKey is NXVPTUAKYBJPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-9-14(10(2)20(3)18-9)15-13(17)8-21(19-15)12-6-4-5-11(16)7-12/h4-8H,17H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine has a molecular weight of 346.23 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine is sourced from PubChem (CID 83204713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).