2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine

C10H16BrN3 — CID 114662893

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1c(Br)cnn1C
InChIInChI=1S/C10H16BrN3/c1-12-9-5-3-4-7(9)10-8(11)6-13-14(10)2/h6-7,9,12H,3-5H2,1-2H3
InChIKeyIBKOYRYHWIJOKJ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.04
Rot. Bonds2

About 2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine

2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine (PubChem CID 114662893) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine
PubChem CID114662893
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1c(Br)cnn1C
InChIInChI=1S/C10H16BrN3/c1-12-9-5-3-4-7(9)10-8(11)6-13-14(10)2/h6-7,9,12H,3-5H2,1-2H3
InChIKeyIBKOYRYHWIJOKJ-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1-methylpyrazol-5-yl)-N-ethylcycloheptan-1-amine
CID 114662950
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine
CID 114662846
1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
CID 114667200
4-bromo-5-(2-chlorocycloheptyl)-1-methylpyrazole
CID 114662559
N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667130
N-methyl-2-(2-methyltriazol-4-yl)cyclopentan-1-amine
CID 130603058
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114667553
N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 114666974
3-(4-bromo-1-methylpyrazol-5-yl)-2-methylcyclopentan-1-one
CID 114663703
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114667461
N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 127004734
2-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclohexan-1-amine
CID 114662862

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine (CID 114662893) is 2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine is CNC1CCCC1c1c(Br)cnn1C.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine?
The InChIKey is IBKOYRYHWIJOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-12-9-5-3-4-7(9)10-8(11)6-13-14(10)2/h6-7,9,12H,3-5H2,1-2H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine?
2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 114662893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).