N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine

C11H21N3O2 — CID 103179574

IUPACN-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
SMILESCOCCCOCCNc1cn(C)nc1C
InChIInChI=1S/C11H21N3O2/c1-10-11(9-14(2)13-10)12-5-8-16-7-4-6-15-3/h9,12H,4-8H2,1-3H3
InChIKeyWADQHWMPIXZBKF-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.19
Rot. Bonds8

About N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine

N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 103179574) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
PubChem CID103179574
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
SMILESCOCCCOCCNc1cn(C)nc1C
InChIInChI=1S/C11H21N3O2/c1-10-11(9-14(2)13-10)12-5-8-16-7-4-6-15-3/h9,12H,4-8H2,1-3H3
InChIKeyWADQHWMPIXZBKF-UHFFFAOYSA-N
XLogP1.19
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838
N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
CID 103033669
N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine
CID 104956490
N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine
CID 102805295
N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline
CID 103178461
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102804461
3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
CID 107462730
5-bromo-N-[2-(3-methoxypropoxy)ethyl]-2-methylaniline
CID 103178607
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078331
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazol-4-amine
CID 165472982
N-[[1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103184324

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine (CID 103179574) is N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine is COCCCOCCNc1cn(C)nc1C.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is WADQHWMPIXZBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10-11(9-14(2)13-10)12-5-8-16-7-4-6-15-3/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine?
N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 227.31 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 103179574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).