1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine

C11H19N3O — CID 165473327

IUPAC1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1CCOCC1CCC1
InChIInChI=1S/C11H19N3O/c1-9-11(12)7-13-14(9)5-6-15-8-10-3-2-4-10/h7,10H,2-6,8,12H2,1H3
InChIKeyQQLVAQUBWJVAHJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.59
Rot. Bonds5

About 1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine

1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine (PubChem CID 165473327) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine
PubChem CID165473327
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1CCOCC1CCC1
InChIInChI=1S/C11H19N3O/c1-9-11(12)7-13-14(9)5-6-15-8-10-3-2-4-10/h7,10H,2-6,8,12H2,1H3
InChIKeyQQLVAQUBWJVAHJ-UHFFFAOYSA-N
XLogP1.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-5-methylpyrazol-4-amine
CID 165473067
1-(2-cyclopentyloxyethyl)-5-methylpyrazol-4-amine
CID 165480190
5-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine
CID 165480206
1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine
CID 114248067
5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine
CID 165472636
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine
CID 104567537
5-(4-amino-5-methylpyrazol-1-yl)pentanamide
CID 165471809
1-(cyclobutylmethyl)-4-iodo-5-methylpyrazole
CID 175686716
9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103815957
5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine
CID 165480554
(5-methyl-1-propylpyrazol-4-yl)-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 72881839
5-methyl-1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]pyrazol-4-amine
CID 118280739

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine (CID 165473327) is 1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine is Cc1c(N)cnn1CCOCC1CCC1.
What is the InChIKey of 1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine?
The InChIKey is QQLVAQUBWJVAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-11(12)7-13-14(9)5-6-15-8-10-3-2-4-10/h7,10H,2-6,8,12H2,1H3.
What are the key properties of 1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine?
1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethoxy)ethyl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 165473327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).