[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine

C13H22BrN3 — CID 81011005

IUPAC[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
SMILESCCn1nc(C)c(Br)c1CC1CCCC1CN
InChIInChI=1S/C13H22BrN3/c1-3-17-12(13(14)9(2)16-17)7-10-5-4-6-11(10)8-15/h10-11H,3-8,15H2,1-2H3
InChIKeyNBXKIUYUHQELAW-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.89
Rot. Bonds4

About [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine

[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine (PubChem CID 81011005) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
PubChem CID81011005
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
SMILESCCn1nc(C)c(Br)c1CC1CCCC1CN
InChIInChI=1S/C13H22BrN3/c1-3-17-12(13(14)9(2)16-17)7-10-5-4-6-11(10)8-15/h10-11H,3-8,15H2,1-2H3
InChIKeyNBXKIUYUHQELAW-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cycloheptyl]methanamine
CID 81011059
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
CID 81028702
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81027565
4-bromo-5-[(4-bromooxan-3-yl)methyl]-1-ethyl-3-methylpyrazole
CID 106471712
4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-propylthiolan-3-amine
CID 83196417
1-(1-aminocyclohexyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116550456
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441749
1-(3-aminocyclohexyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116568812
N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
CID 80673564
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine
CID 83228285
4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole
CID 66322233
4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole
CID 66467439

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine (CID 81011005) is [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine is CCn1nc(C)c(Br)c1CC1CCCC1CN.
What is the InChIKey of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine?
The InChIKey is NBXKIUYUHQELAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-3-17-12(13(14)9(2)16-17)7-10-5-4-6-11(10)8-15/h10-11H,3-8,15H2,1-2H3.
What are the key properties of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine?
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine has a molecular weight of 300.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 81011005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).