1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine

C13H22BrN3 — CID 107191465

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
SMILESCNC(c1c(Br)cnn1C)C1CCCC1(C)C
InChIInChI=1S/C13H22BrN3/c1-13(2)7-5-6-9(13)11(15-3)12-10(14)8-16-17(12)4/h8-9,11,15H,5-7H2,1-4H3
InChIKeyFXOFFKUUVMCTRY-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.27
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine (PubChem CID 107191465) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
PubChem CID107191465
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
SMILESCNC(c1c(Br)cnn1C)C1CCCC1(C)C
InChIInChI=1S/C13H22BrN3/c1-13(2)7-5-6-9(13)11(15-3)12-10(14)8-16-17(12)4/h8-9,11,15H,5-7H2,1-4H3
InChIKeyFXOFFKUUVMCTRY-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191459
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107191035
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107190949
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 107191174
1-(4-bromo-2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177838
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191008
1-(2,2-dimethylcyclopentyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107188705
[(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 107194810
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 107190904
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 107188799
1-(3-bromo-2,6-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107191863

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine (CID 107191465) is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine is CNC(c1c(Br)cnn1C)C1CCCC1(C)C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine?
The InChIKey is FXOFFKUUVMCTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-13(2)7-5-6-9(13)11(15-3)12-10(14)8-16-17(12)4/h8-9,11,15H,5-7H2,1-4H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine has a molecular weight of 300.24 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 107191465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).