N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine

C16H26BrN3 — CID 80673348

IUPACN-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine
SMILESBrCCN(Cc1ccn(C2CCCC2)n1)C1CCCC1
InChIInChI=1S/C16H26BrN3/c17-10-12-19(15-5-1-2-6-15)13-14-9-11-20(18-14)16-7-3-4-8-16/h9,11,15-16H,1-8,10,12-13H2
InChIKeyRYKAMKGFUDBREF-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.14
Rot. Bonds6

About N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine

N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine (PubChem CID 80673348) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine
PubChem CID80673348
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC NameN-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine
SMILESBrCCN(Cc1ccn(C2CCCC2)n1)C1CCCC1
InChIInChI=1S/C16H26BrN3/c17-10-12-19(15-5-1-2-6-15)13-14-9-11-20(18-14)16-7-3-4-8-16/h9,11,15-16H,1-8,10,12-13H2
InChIKeyRYKAMKGFUDBREF-UHFFFAOYSA-N
XLogP4.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64779957
2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid
CID 64784800
5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine
CID 107204922
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpyrrolidin-3-amine
CID 64784435
N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
CID 64800217
3-(5-bromopent-2-enyl)-1-cyclopentylpyrazole
CID 79603185
3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385
2-[cyclopentyl-[(1-methylpyrazol-3-yl)methyl]amino]ethanol
CID 82878038
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 64800221
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine (CID 80673348) is N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine is BrCCN(Cc1ccn(C2CCCC2)n1)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine?
The InChIKey is RYKAMKGFUDBREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c17-10-12-19(15-5-1-2-6-15)13-14-9-11-20(18-14)16-7-3-4-8-16/h9,11,15-16H,1-8,10,12-13H2.
What are the key properties of N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine?
N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine has a molecular weight of 340.31 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine is sourced from PubChem (CID 80673348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).