1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine

C12H20BrN3 — CID 114648216

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
SMILESCCn1ncc(Br)c1C(NC)C1CCCC1
InChIInChI=1S/C12H20BrN3/c1-3-16-12(10(13)8-15-16)11(14-2)9-6-4-5-7-9/h8-9,11,14H,3-7H2,1-2H3
InChIKeyDVLYGARCQLUXGF-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine (PubChem CID 114648216) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
PubChem CID114648216
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
SMILESCCn1ncc(Br)c1C(NC)C1CCCC1
InChIInChI=1S/C12H20BrN3/c1-3-16-12(10(13)8-15-16)11(14-2)9-6-4-5-7-9/h8-9,11,14H,3-7H2,1-2H3
InChIKeyDVLYGARCQLUXGF-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105183011
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 114655546
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol
CID 114637053
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655683
N-[(4-bromo-1-ethylpyrazol-5-yl)-(oxolan-3-yl)methyl]ethanamine
CID 114654743
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107190949
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105182833
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105040348

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine (CID 114648216) is 1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine is CCn1ncc(Br)c1C(NC)C1CCCC1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine?
The InChIKey is DVLYGARCQLUXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-3-16-12(10(13)8-15-16)11(14-2)9-6-4-5-7-9/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine has a molecular weight of 286.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 114648216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).