2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine

C13H26N4O — CID 102810428

IUPAC2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
SMILESCCc1nn(C)cc1CNC(C)CNCCOC
InChIInChI=1S/C13H26N4O/c1-5-13-12(10-17(3)16-13)9-15-11(2)8-14-6-7-18-4/h10-11,14-15H,5-9H2,1-4H3
InChIKeyWCKQAADUUUKAGI-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.70
Rot. Bonds9

About 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine

2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine (PubChem CID 102810428) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
PubChem CID102810428
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
SMILESCCc1nn(C)cc1CNC(C)CNCCOC
InChIInChI=1S/C13H26N4O/c1-5-13-12(10-17(3)16-13)9-15-11(2)8-14-6-7-18-4/h10-11,14-15H,5-9H2,1-4H3
InChIKeyWCKQAADUUUKAGI-UHFFFAOYSA-N
XLogP0.70
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 75480822
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CID 53616949
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 75384478
1-(2-methoxyethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
CID 131519345
N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 46986896
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate
CID 99716384
(3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine
CID 164643179
3-(Fluoromethyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrazole
CID 168139746
4-[4-Fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine
CID 171506584
4-Fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole
CID 176691939
4-Fluoro-1-(oxetan-3-yl)-3-propan-2-ylpyrazole
CID 176693211
ethyl N-[3-(1,3-dimethylpyrazol-4-yl)propyl]carbamate
CID 101513376

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
The IUPAC name of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine (CID 102810428) is 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine is CCc1nn(C)cc1CNC(C)CNCCOC.
What is the InChIKey of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
The InChIKey is WCKQAADUUUKAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-13-12(10-17(3)16-13)9-15-11(2)8-14-6-7-18-4/h10-11,14-15H,5-9H2,1-4H3.
What are the key properties of 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine is sourced from PubChem (CID 102810428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).