N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine

C16H15BrN4 — CID 116785735

IUPACN-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESBrc1cnc2c(-n3ccc(CNC4CC4)n3)cccc2c1
InChIInChI=1S/C16H15BrN4/c17-12-8-11-2-1-3-15(16(11)19-9-12)21-7-6-14(20-21)10-18-13-4-5-13/h1-3,6-9,13,18H,4-5,10H2
InChIKeyMKWASAOJKMSWDB-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.43
Rot. Bonds4

About N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 116785735) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID116785735
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC NameN-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESBrc1cnc2c(-n3ccc(CNC4CC4)n3)cccc2c1
InChIInChI=1S/C16H15BrN4/c17-12-8-11-2-1-3-15(16(11)19-9-12)21-7-6-14(20-21)10-18-13-4-5-13/h1-3,6-9,13,18H,4-5,10H2
InChIKeyMKWASAOJKMSWDB-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-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-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 116784963
N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 114254035
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
3-bromo-8-[4-(bromomethyl)triazol-1-yl]quinoline
CID 116785501
1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine
CID 116785617
N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 104725455
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79771903
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 66477005
1-(3-bromoquinolin-8-yl)imidazolidin-2-one
CID 116784875
N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908393
1-(3-bromoquinolin-8-yl)-2-methylpiperidin-4-amine
CID 116784942
N-[[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62487448

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine (CID 116785735) is N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine is Brc1cnc2c(-n3ccc(CNC4CC4)n3)cccc2c1.
What is the InChIKey of N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is MKWASAOJKMSWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c17-12-8-11-2-1-3-15(16(11)19-9-12)21-7-6-14(20-21)10-18-13-4-5-13/h1-3,6-9,13,18H,4-5,10H2.
What are the key properties of N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 343.23 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116785735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).