N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine

C11H21N3O2 — CID 122625520

IUPACN-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCOCCOCCNc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O2/c1-4-15-7-8-16-6-5-12-11-9(2)13-14-10(11)3/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyTZHYOCIOKNTWBY-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.49
Rot. Bonds8

About N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 122625520) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID122625520
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCOCCOCCNc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O2/c1-4-15-7-8-16-6-5-12-11-9(2)13-14-10(11)3/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyTZHYOCIOKNTWBY-UHFFFAOYSA-N
XLogP1.49
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 122625520) is N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is CCOCCOCCNc1c(C)n[nH]c1C.
What is the InChIKey of N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is TZHYOCIOKNTWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-15-7-8-16-6-5-12-11-9(2)13-14-10(11)3/h12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 227.31 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethoxy)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 122625520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).