2,4-dimethyl-5-nonylpyrazol-3-amine

C14H27N3 — CID 65426344

IUPAC2,4-dimethyl-5-nonylpyrazol-3-amine
SMILESCCCCCCCCCc1nn(C)c(N)c1C
InChIInChI=1S/C14H27N3/c1-4-5-6-7-8-9-10-11-13-12(2)14(15)17(3)16-13/h4-11,15H2,1-3H3
InChIKeyOIUMYXMGYWEWME-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.60
Rot. Bonds8

About 2,4-dimethyl-5-nonylpyrazol-3-amine

2,4-dimethyl-5-nonylpyrazol-3-amine (PubChem CID 65426344) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2,4-dimethyl-5-nonylpyrazol-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-5-nonylpyrazol-3-amine
PubChem CID65426344
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2,4-dimethyl-5-nonylpyrazol-3-amine
SMILESCCCCCCCCCc1nn(C)c(N)c1C
InChIInChI=1S/C14H27N3/c1-4-5-6-7-8-9-10-11-13-12(2)14(15)17(3)16-13/h4-11,15H2,1-3H3
InChIKeyOIUMYXMGYWEWME-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.60
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 2,4-dimethyl-5-nonylpyrazol-3-amine?
The IUPAC name of 2,4-dimethyl-5-nonylpyrazol-3-amine (CID 65426344) is 2,4-dimethyl-5-nonylpyrazol-3-amine.
What is the SMILES notation for 2,4-dimethyl-5-nonylpyrazol-3-amine?
The canonical SMILES for 2,4-dimethyl-5-nonylpyrazol-3-amine is CCCCCCCCCc1nn(C)c(N)c1C.
What is the InChIKey of 2,4-dimethyl-5-nonylpyrazol-3-amine?
The InChIKey is OIUMYXMGYWEWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-5-6-7-8-9-10-11-13-12(2)14(15)17(3)16-13/h4-11,15H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-nonylpyrazol-3-amine?
2,4-dimethyl-5-nonylpyrazol-3-amine has a molecular weight of 237.39 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-nonylpyrazol-3-amine is sourced from PubChem (CID 65426344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).