3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine

C15H18BrN3 — CID 107167617

IUPAC3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2ccc(Br)cc2)C1)c1cn[nH]c1
InChIInChI=1S/C15H18BrN3/c1-10(13-8-17-18-9-13)19-15-6-12(7-15)11-2-4-14(16)5-3-11/h2-5,8-10,12,15,19H,6-7H2,1H3,(H,17,18)
InChIKeyLPMUTRCMBVGTIU-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.77
Rot. Bonds4

About 3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 107167617) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
PubChem CID107167617
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2ccc(Br)cc2)C1)c1cn[nH]c1
InChIInChI=1S/C15H18BrN3/c1-10(13-8-17-18-9-13)19-15-6-12(7-15)11-2-4-14(16)5-3-11/h2-5,8-10,12,15,19H,6-7H2,1H3,(H,17,18)
InChIKeyLPMUTRCMBVGTIU-UHFFFAOYSA-N
XLogP3.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine (CID 107167617) is 3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine is CC(NC1CC(c2ccc(Br)cc2)C1)c1cn[nH]c1.
What is the InChIKey of 3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is LPMUTRCMBVGTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10(13-8-17-18-9-13)19-15-6-12(7-15)11-2-4-14(16)5-3-11/h2-5,8-10,12,15,19H,6-7H2,1H3,(H,17,18).
What are the key properties of 3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 107167617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).