1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine

C13H19N3O — CID 61415906

IUPAC1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1occc1-c1cc(N)n(CCC(C)C)n1
InChIInChI=1S/C13H19N3O/c1-9(2)4-6-16-13(14)8-12(15-16)11-5-7-17-10(11)3/h5,7-9H,4,6,14H2,1-3H3
InChIKeyXZCGVUWRJLTPLQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.08
Rot. Bonds4

About 1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine

1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine (PubChem CID 61415906) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine
PubChem CID61415906
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1occc1-c1cc(N)n(CCC(C)C)n1
InChIInChI=1S/C13H19N3O/c1-9(2)4-6-16-13(14)8-12(15-16)11-5-7-17-10(11)3/h5,7-9H,4,6,14H2,1-3H3
InChIKeyXZCGVUWRJLTPLQ-UHFFFAOYSA-N
XLogP3.08
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_A(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The IUPAC name of 1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine (CID 61415906) is 1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The canonical SMILES for 1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine is Cc1occc1-c1cc(N)n(CCC(C)C)n1.
What is the InChIKey of 1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The InChIKey is XZCGVUWRJLTPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)4-6-16-13(14)8-12(15-16)11-5-7-17-10(11)3/h5,7-9H,4,6,14H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine?
1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine has a molecular weight of 233.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine is sourced from PubChem (CID 61415906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).