4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine

C13H18N4O — CID 102803626

IUPAC4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2cn(C)nc2C)ccc1N
InChIInChI=1S/C13H18N4O/c1-4-18-13-7-10(5-6-11(13)14)15-12-8-17(3)16-9(12)2/h5-8,15H,4,14H2,1-3H3
InChIKeyIWNJTFKKXGXKCA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds4

About 4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine

4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine (PubChem CID 102803626) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine
PubChem CID102803626
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine
SMILESCCOc1cc(Nc2cn(C)nc2C)ccc1N
InChIInChI=1S/C13H18N4O/c1-4-18-13-7-10(5-6-11(13)14)15-12-8-17(3)16-9(12)2/h5-8,15H,4,14H2,1-3H3
InChIKeyIWNJTFKKXGXKCA-UHFFFAOYSA-N
XLogP2.45
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine
CID 106751256
4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232941
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948
2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
CID 107643474
2-ethoxy-4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882547
3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine
CID 103078820
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63670967
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436266

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine (CID 102803626) is 4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine is CCOc1cc(Nc2cn(C)nc2C)ccc1N.
What is the InChIKey of 4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine?
The InChIKey is IWNJTFKKXGXKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-18-13-7-10(5-6-11(13)14)15-12-8-17(3)16-9(12)2/h5-8,15H,4,14H2,1-3H3.
What are the key properties of 4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine?
4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine is sourced from PubChem (CID 102803626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).