4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine

C15H22N4O — CID 129245861

IUPAC4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine
SMILESCCn1cc(-c2ccc(N)c(N)c2OCC(C)C)cn1
InChIInChI=1S/C15H22N4O/c1-4-19-8-11(7-18-19)12-5-6-13(16)14(17)15(12)20-9-10(2)3/h5-8,10H,4,9,16-17H2,1-3H3
InChIKeyJXUSTKKOLMHQCU-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.77
Rot. Bonds5

About 4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine

4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine (PubChem CID 129245861) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine
PubChem CID129245861
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine
SMILESCCn1cc(-c2ccc(N)c(N)c2OCC(C)C)cn1
InChIInChI=1S/C15H22N4O/c1-4-19-8-11(7-18-19)12-5-6-13(16)14(17)15(12)20-9-10(2)3/h5-8,10H,4,9,16-17H2,1-3H3
InChIKeyJXUSTKKOLMHQCU-UHFFFAOYSA-N
XLogP2.77
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine (CID 129245861) is 4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine is CCn1cc(-c2ccc(N)c(N)c2OCC(C)C)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine?
The InChIKey is JXUSTKKOLMHQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-19-8-11(7-18-19)12-5-6-13(16)14(17)15(12)20-9-10(2)3/h5-8,10H,4,9,16-17H2,1-3H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine?
4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-3-(2-methylpropoxy)benzene-1,2-diamine is sourced from PubChem (CID 129245861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).