3-(3-bromophenyl)-1-propylpyrazol-4-amine

C12H14BrN3 — CID 83222234

IUPAC3-(3-bromophenyl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(N)c(-c2cccc(Br)c2)n1
InChIInChI=1S/C12H14BrN3/c1-2-6-16-8-11(14)12(15-16)9-4-3-5-10(13)7-9/h3-5,7-8H,2,6,14H2,1H3
InChIKeyPAFYFRQVGMLSQC-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.30
Rot. Bonds3

About 3-(3-bromophenyl)-1-propylpyrazol-4-amine

3-(3-bromophenyl)-1-propylpyrazol-4-amine (PubChem CID 83222234) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-propylpyrazol-4-amine
PubChem CID83222234
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-(3-bromophenyl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(N)c(-c2cccc(Br)c2)n1
InChIInChI=1S/C12H14BrN3/c1-2-6-16-8-11(14)12(15-16)9-4-3-5-10(13)7-9/h3-5,7-8H,2,6,14H2,1H3
InChIKeyPAFYFRQVGMLSQC-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-propylpyrazol-4-amine?
The IUPAC name of 3-(3-bromophenyl)-1-propylpyrazol-4-amine (CID 83222234) is 3-(3-bromophenyl)-1-propylpyrazol-4-amine.
What is the SMILES notation for 3-(3-bromophenyl)-1-propylpyrazol-4-amine?
The canonical SMILES for 3-(3-bromophenyl)-1-propylpyrazol-4-amine is CCCn1cc(N)c(-c2cccc(Br)c2)n1.
What is the InChIKey of 3-(3-bromophenyl)-1-propylpyrazol-4-amine?
The InChIKey is PAFYFRQVGMLSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-2-6-16-8-11(14)12(15-16)9-4-3-5-10(13)7-9/h3-5,7-8H,2,6,14H2,1H3.
What are the key properties of 3-(3-bromophenyl)-1-propylpyrazol-4-amine?
3-(3-bromophenyl)-1-propylpyrazol-4-amine has a molecular weight of 280.17 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-propylpyrazol-4-amine is sourced from PubChem (CID 83222234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).