N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine

C9H15BrN4 — CID 130834100

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine
SMILESCN1CC(NCc2c(Br)cnn2C)C1
InChIInChI=1S/C9H15BrN4/c1-13-5-7(6-13)11-4-9-8(10)3-12-14(9)2/h3,7,11H,4-6H2,1-2H3
InChIKeyBGYOAVYHUJPXHX-UHFFFAOYSA-N
MW259.15 g/mol
LogP0.59
Rot. Bonds3

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine (PubChem CID 130834100) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine
PubChem CID130834100
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine
SMILESCN1CC(NCc2c(Br)cnn2C)C1
InChIInChI=1S/C9H15BrN4/c1-13-5-7(6-13)11-4-9-8(10)3-12-14(9)2/h3,7,11H,4-6H2,1-2H3
InChIKeyBGYOAVYHUJPXHX-UHFFFAOYSA-N
XLogP0.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide
CID 19294775
5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine
CID 117217706
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
CID 175049382
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide
CID 19296614
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine
CID 130693971
3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol
CID 114665001
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-methylazetidin-3-amine
CID 130679569
4-bromo-1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole
CID 130616658
2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
CID 114662235
1-methyl-N-[(5-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 130908640
4-bromo-5-(3-bromopropyl)-1-methylpyrazole
CID 114665343

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine (CID 130834100) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine is CN1CC(NCc2c(Br)cnn2C)C1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine?
The InChIKey is BGYOAVYHUJPXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-13-5-7(6-13)11-4-9-8(10)3-12-14(9)2/h3,7,11H,4-6H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine has a molecular weight of 259.15 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine is sourced from PubChem (CID 130834100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).