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

C14H13BrN4 — CID 112617853

IUPAC2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccc(Br)c3cccnc23)n1
InChIInChI=1S/C14H13BrN4/c1-9-7-13(16)19(18-9)8-10-4-5-12(15)11-3-2-6-17-14(10)11/h2-7H,8,16H2,1H3
InChIKeyBEZHSMKYWLNADR-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.13
Rot. Bonds2

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

2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine (PubChem CID 112617853) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
PubChem CID112617853
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccc(Br)c3cccnc23)n1
InChIInChI=1S/C14H13BrN4/c1-9-7-13(16)19(18-9)8-10-4-5-12(15)11-3-2-6-17-14(10)11/h2-7H,8,16H2,1H3
InChIKeyBEZHSMKYWLNADR-UHFFFAOYSA-N
XLogP3.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
CID 112617852
N-[(5-bromoquinolin-8-yl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 115959057
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 56604539
2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine
CID 62136321
5-methyl-2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 3161320
1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine
CID 115959744
1-[(5-bromoquinolin-8-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 75520404
N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
CID 115958942
8-benzyl-5-bromoquinoline
CID 53421162
1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 115959257

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine (CID 112617853) is 2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)n(Cc2ccc(Br)c3cccnc23)n1.
What is the InChIKey of 2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is BEZHSMKYWLNADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-9-7-13(16)19(18-9)8-10-4-5-12(15)11-3-2-6-17-14(10)11/h2-7H,8,16H2,1H3.
What are the key properties of 2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine?
2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 317.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 112617853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).