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

C12H23N3 — CID 3031274

IUPAC1-heptyl-3,5-dimethylpyrazol-4-amine
SMILESCCCCCCCn1nc(C)c(N)c1C
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-9-15-11(3)12(13)10(2)14-15/h4-9,13H2,1-3H3
InChIKeyRFBSINXQEQGTOR-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.05
Rot. Bonds6

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

1-heptyl-3,5-dimethylpyrazol-4-amine (PubChem CID 3031274) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-heptyl-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-heptyl-3,5-dimethylpyrazol-4-amine
PubChem CID3031274
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-heptyl-3,5-dimethylpyrazol-4-amine
SMILESCCCCCCCn1nc(C)c(N)c1C
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-9-15-11(3)12(13)10(2)14-15/h4-9,13H2,1-3H3
InChIKeyRFBSINXQEQGTOR-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-heptyl-3,5-dimethylpyrazol-4-amine (CID 3031274) is 1-heptyl-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-heptyl-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-heptyl-3,5-dimethylpyrazol-4-amine is CCCCCCCn1nc(C)c(N)c1C.
What is the InChIKey of 1-heptyl-3,5-dimethylpyrazol-4-amine?
The InChIKey is RFBSINXQEQGTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-6-7-8-9-15-11(3)12(13)10(2)14-15/h4-9,13H2,1-3H3.
What are the key properties of 1-heptyl-3,5-dimethylpyrazol-4-amine?
1-heptyl-3,5-dimethylpyrazol-4-amine has a molecular weight of 209.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 3031274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).