1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine

C15H26BrN3 — CID 80692467

IUPAC1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCc1nn(CC)c(CC2(N)CCC(C)(C)C2)c1Br
InChIInChI=1S/C15H26BrN3/c1-5-11-13(16)12(19(6-2)18-11)9-15(17)8-7-14(3,4)10-15/h5-10,17H2,1-4H3
InChIKeyCCGUZKZXIQZHKX-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.68
Rot. Bonds4

About 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine

1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80692467) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80692467
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCc1nn(CC)c(CC2(N)CCC(C)(C)C2)c1Br
InChIInChI=1S/C15H26BrN3/c1-5-11-13(16)12(19(6-2)18-11)9-15(17)8-7-14(3,4)10-15/h5-10,17H2,1-4H3
InChIKeyCCGUZKZXIQZHKX-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603664
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-5,5-dimethylthian-3-ol
CID 79946645
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
CID 106797179
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705915
N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024898
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253505
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105109515
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine
CID 112567519
4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole
CID 66466489
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile
CID 107160828
4-bromo-1,3-diethyl-5-[(3-methylazetidin-3-yl)oxymethyl]pyrazole
CID 83066068
2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105162267

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 80692467) is 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine is CCc1nn(CC)c(CC2(N)CCC(C)(C)C2)c1Br.
What is the InChIKey of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is CCGUZKZXIQZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-5-11-13(16)12(19(6-2)18-11)9-15(17)8-7-14(3,4)10-15/h5-10,17H2,1-4H3.
What are the key properties of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 328.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80692467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).