5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine

C14H13BrN4 — CID 103911597

IUPAC5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
SMILESCn1nccc1CNc1nccc2c(Br)cccc12
InChIInChI=1S/C14H13BrN4/c1-19-10(5-8-18-19)9-17-14-12-3-2-4-13(15)11(12)6-7-16-14/h2-8H,9H2,1H3,(H,16,17)
InChIKeyZSTZVAWGZKHNNR-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.34
Rot. Bonds3

About 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine

5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine (PubChem CID 103911597) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
PubChem CID103911597
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
SMILESCn1nccc1CNc1nccc2c(Br)cccc12
InChIInChI=1S/C14H13BrN4/c1-19-10(5-8-18-19)9-17-14-12-3-2-4-13(15)11(12)6-7-16-14/h2-8H,9H2,1H3,(H,16,17)
InChIKeyZSTZVAWGZKHNNR-UHFFFAOYSA-N
XLogP3.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]isoquinolin-1-amine
CID 106537763
5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]isoquinolin-1-amine
CID 106538906
5-bromo-N-(1,3-thiazol-2-ylmethyl)isoquinolin-1-amine
CID 113350183
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 63302427
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]isoquinolin-1-amine
CID 106539986
3-[(5-bromoisoquinolin-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 103888994
1-N-(5-bromoisoquinolin-1-yl)butane-1,2-diamine
CID 106540633
5-bromo-N-[(3,4-difluorophenyl)methyl]isoquinolin-1-amine
CID 106538164
5-bromo-N-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538484
5-bromo-N-(2-ethoxyethyl)isoquinolin-1-amine
CID 103847057
5-bromo-N-(4-methoxybutyl)isoquinolin-1-amine
CID 113346423
N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine?
The IUPAC name of 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine (CID 103911597) is 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine is Cn1nccc1CNc1nccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine?
The InChIKey is ZSTZVAWGZKHNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-19-10(5-8-18-19)9-17-14-12-3-2-4-13(15)11(12)6-7-16-14/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine?
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine has a molecular weight of 317.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 103911597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).