[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine

C12H14BrN3 — CID 66440713

IUPAC[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
SMILESCCc1c(CN)cnn1-c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-2-12-9(7-14)8-15-16(12)11-5-3-4-10(13)6-11/h3-6,8H,2,7,14H2,1H3
InChIKeyRNHZPPKPQMOHOX-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.66
Rot. Bonds3

About [1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine

[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine (PubChem CID 66440713) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is [1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
PubChem CID66440713
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
SMILESCCc1c(CN)cnn1-c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-2-12-9(7-14)8-15-16(12)11-5-3-4-10(13)6-11/h3-6,8H,2,7,14H2,1H3
InChIKeyRNHZPPKPQMOHOX-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine (CID 66440713) is [1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine is CCc1c(CN)cnn1-c1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine?
The InChIKey is RNHZPPKPQMOHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-2-12-9(7-14)8-15-16(12)11-5-3-4-10(13)6-11/h3-6,8H,2,7,14H2,1H3.
What are the key properties of [1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine?
[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine has a molecular weight of 280.17 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 66440713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).