N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine

C14H13BrN4 — CID 84597358

IUPACN-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine
SMILESCn1nccc1NCc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H13BrN4/c1-19-13(6-8-18-19)17-9-10-4-5-12(15)11-3-2-7-16-14(10)11/h2-8,17H,9H2,1H3
InChIKeyOIFDBENVRDXLAB-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.34
Rot. Bonds3

About N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine

N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine (PubChem CID 84597358) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine
PubChem CID84597358
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine
SMILESCn1nccc1NCc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H13BrN4/c1-19-13(6-8-18-19)17-9-10-4-5-12(15)11-3-2-7-16-14(10)11/h2-8,17H,9H2,1H3
InChIKeyOIFDBENVRDXLAB-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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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine (CID 84597358) is N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine is Cn1nccc1NCc1ccc(Br)c2cccnc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine?
The InChIKey is OIFDBENVRDXLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-19-13(6-8-18-19)17-9-10-4-5-12(15)11-3-2-7-16-14(10)11/h2-8,17H,9H2,1H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine?
N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-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 N-[(5-bromoquinolin-8-yl)methyl]-2-methylpyrazol-3-amine is sourced from PubChem (CID 84597358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).