N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine

C12H14BrN3O — CID 104654150

IUPACN-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCn1cc(CNC2CC2)c(-c2ccc(Br)o2)n1
InChIInChI=1S/C12H14BrN3O/c1-16-7-8(6-14-9-2-3-9)12(15-16)10-4-5-11(13)17-10/h4-5,7,9,14H,2-3,6H2,1H3
InChIKeyKSSMCJUFNCFKMF-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.69
Rot. Bonds4

About N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine

N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 104654150) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID104654150
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC NameN-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCn1cc(CNC2CC2)c(-c2ccc(Br)o2)n1
InChIInChI=1S/C12H14BrN3O/c1-16-7-8(6-14-9-2-3-9)12(15-16)10-4-5-11(13)17-10/h4-5,7,9,14H,2-3,6H2,1H3
InChIKeyKSSMCJUFNCFKMF-UHFFFAOYSA-N
XLogP2.69
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine 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

N-[[3-(5-bromo-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79491354
N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79485221
N-[[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485385
N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 82973521
N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79484471
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
4-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
CID 47610401
N-[[1-methyl-3-(3-methylthiophen-2-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485222
4-[4-[(cyclopropylamino)methyl]-1-methylpyrazol-3-yl]benzonitrile
CID 79485147
N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 104653522
4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 60958007
N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888858

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine (CID 104654150) is N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine is Cn1cc(CNC2CC2)c(-c2ccc(Br)o2)n1.
What is the InChIKey of N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is KSSMCJUFNCFKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16-7-8(6-14-9-2-3-9)12(15-16)10-4-5-11(13)17-10/h4-5,7,9,14H,2-3,6H2,1H3.
What are the key properties of N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 296.17 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104654150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).