3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine

C15H18BrN3 — CID 82882732

IUPAC3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
SMILESCn1ccc(CNC2CC(c3ccccc3Br)C2)n1
InChIInChI=1S/C15H18BrN3/c1-19-7-6-12(18-19)10-17-13-8-11(9-13)14-4-2-3-5-15(14)16/h2-7,11,13,17H,8-10H2,1H3
InChIKeyBONNKYTWBSKTLT-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.22
Rot. Bonds4

About 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine

3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 82882732) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID82882732
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
SMILESCn1ccc(CNC2CC(c3ccccc3Br)C2)n1
InChIInChI=1S/C15H18BrN3/c1-19-7-6-12(18-19)10-17-13-8-11(9-13)14-4-2-3-5-15(14)16/h2-7,11,13,17H,8-10H2,1H3
InChIKeyBONNKYTWBSKTLT-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
CID 82882921
3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882566
3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882728
3-(2-bromophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80681078
3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
CID 104651117
3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 43633182
3-(2-bromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclobutan-1-amine
CID 106392117
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine
CID 115881332
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115491538

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine (CID 82882732) is 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine is Cn1ccc(CNC2CC(c3ccccc3Br)C2)n1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is BONNKYTWBSKTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19-7-6-12(18-19)10-17-13-8-11(9-13)14-4-2-3-5-15(14)16/h2-7,11,13,17H,8-10H2,1H3.
What are the key properties of 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 82882732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).