5-hexoxy-1,3-dimethylpyrazol-4-amine

C11H21N3O — CID 43554474

IUPAC5-hexoxy-1,3-dimethylpyrazol-4-amine
SMILESCCCCCCOc1c(N)c(C)nn1C
InChIInChI=1S/C11H21N3O/c1-4-5-6-7-8-15-11-10(12)9(2)13-14(11)3/h4-8,12H2,1-3H3
InChIKeyIJDOUURWIJYOHO-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.27
Rot. Bonds6

About 5-hexoxy-1,3-dimethylpyrazol-4-amine

5-hexoxy-1,3-dimethylpyrazol-4-amine (PubChem CID 43554474) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-hexoxy-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-hexoxy-1,3-dimethylpyrazol-4-amine
PubChem CID43554474
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-hexoxy-1,3-dimethylpyrazol-4-amine
SMILESCCCCCCOc1c(N)c(C)nn1C
InChIInChI=1S/C11H21N3O/c1-4-5-6-7-8-15-11-10(12)9(2)13-14(11)3/h4-8,12H2,1-3H3
InChIKeyIJDOUURWIJYOHO-UHFFFAOYSA-N
XLogP2.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.27
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

5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66011970
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazol-4-amine
CID 61102493
5-(2-ethoxyethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554429
5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine
CID 103400910
5-(cyclopropylmethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554459
5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol
CID 114216560
5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66013671
1-ethyl-5-(3-methoxypropoxy)-3-methylpyrazol-4-amine
CID 66013084
1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine
CID 43554434
5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine
CID 82828534
5-cyclopentyloxy-1,3-dimethylpyrazol-4-amine
CID 43554361
ethyl 2-methyl-5-methylsulfanyl-3-nonadecoxypyrazolo[4,3-d]pyrimidine-7-carboxylate
CID 70496973

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-hexoxy-1,3-dimethylpyrazol-4-amine (CID 43554474) is 5-hexoxy-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-hexoxy-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-hexoxy-1,3-dimethylpyrazol-4-amine is CCCCCCOc1c(N)c(C)nn1C.
What is the InChIKey of 5-hexoxy-1,3-dimethylpyrazol-4-amine?
The InChIKey is IJDOUURWIJYOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-6-7-8-15-11-10(12)9(2)13-14(11)3/h4-8,12H2,1-3H3.
What are the key properties of 5-hexoxy-1,3-dimethylpyrazol-4-amine?
5-hexoxy-1,3-dimethylpyrazol-4-amine has a molecular weight of 211.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).