4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole

C13H21BrN2O — CID 66322233

IUPAC4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Br)c1COCC1CCCC1
InChIInChI=1S/C13H21BrN2O/c1-3-16-12(13(14)10(2)15-16)9-17-8-11-6-4-5-7-11/h11H,3-9H2,1-2H3
InChIKeyNOKQABMIQLMKQJ-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.68
Rot. Bonds5

About 4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole

4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole (PubChem CID 66322233) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole
PubChem CID66322233
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Br)c1COCC1CCCC1
InChIInChI=1S/C13H21BrN2O/c1-3-16-12(13(14)10(2)15-16)9-17-8-11-6-4-5-7-11/h11H,3-9H2,1-2H3
InChIKeyNOKQABMIQLMKQJ-UHFFFAOYSA-N
XLogP3.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine
CID 83228285
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 114097857
4-bromo-1-ethyl-3-methyl-5-(4,4,4-trifluorobutoxymethyl)pyrazole
CID 82787819
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexyl-N-methylpropan-2-amine
CID 104998031
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105316689
4-bromo-5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-1-ethyl-3-methylpyrazole
CID 115927248
3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132006
N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
CID 80673564
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
CID 81028702
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81011005
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
CID 83062124
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81027565

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole?
The IUPAC name of 4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole (CID 66322233) is 4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole?
The canonical SMILES for 4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole is CCn1nc(C)c(Br)c1COCC1CCCC1.
What is the InChIKey of 4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole?
The InChIKey is NOKQABMIQLMKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-3-16-12(13(14)10(2)15-16)9-17-8-11-6-4-5-7-11/h11H,3-9H2,1-2H3.
What are the key properties of 4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole?
4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole has a molecular weight of 301.23 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 66322233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).