N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine

C14H23Br2N3 — CID 80673564

IUPACN-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
SMILESCCn1nc(C)c(Br)c1CN(CCBr)C1CCCC1
InChIInChI=1S/C14H23Br2N3/c1-3-19-13(14(16)11(2)17-19)10-18(9-8-15)12-6-4-5-7-12/h12H,3-10H2,1-2H3
InChIKeyZXQUGECTISCGOG-UHFFFAOYSA-N
MW393.17 g/mol
LogP4.11
Rot. Bonds6

About N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine

N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine (PubChem CID 80673564) has the molecular formula C14H23Br2N3 and a molecular weight of 393.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
PubChem CID80673564
Molecular FormulaC14H23Br2N3
Molecular Weight393.17 g/mol
Exact Mass391.03
IUPAC NameN-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
SMILESCCn1nc(C)c(Br)c1CN(CCBr)C1CCCC1
InChIInChI=1S/C14H23Br2N3/c1-3-19-13(14(16)11(2)17-19)10-18(9-8-15)12-6-4-5-7-12/h12H,3-10H2,1-2H3
InChIKeyZXQUGECTISCGOG-UHFFFAOYSA-N
XLogP4.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.17
LogP ≤ 54.11
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-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79704520
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-(3-chloropropyl)cyclobutanamine
CID 102860688
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol
CID 102869682
N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine
CID 80675619
4-bromo-5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-1-ethyl-3-methylpyrazole
CID 115927248
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616672
1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
CID 104555001
4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole
CID 66322233
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine
CID 83228285
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81011005
N-(2-bromoethyl)-N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 80673272
N-(2-bromoethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 80672449

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine (CID 80673564) is N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine is CCn1nc(C)c(Br)c1CN(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine?
The InChIKey is ZXQUGECTISCGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Br2N3/c1-3-19-13(14(16)11(2)17-19)10-18(9-8-15)12-6-4-5-7-12/h12H,3-10H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine?
N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine has a molecular weight of 393.17 g/mol, XLogP of 4.11, 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-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 80673564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).