2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

C15H22N4O — CID 79589077

IUPAC2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCn1nc(C)cc1COc1cc(N(C)C)ccc1N
InChIInChI=1S/C15H22N4O/c1-5-19-13(8-11(2)17-19)10-20-15-9-12(18(3)4)6-7-14(15)16/h6-9H,5,10,16H2,1-4H3
InChIKeyXEMLUKRZZMASCH-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.44
Rot. Bonds5

About 2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 79589077) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID79589077
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCn1nc(C)cc1COc1cc(N(C)C)ccc1N
InChIInChI=1S/C15H22N4O/c1-5-19-13(8-11(2)17-19)10-20-15-9-12(18(3)4)6-7-14(15)16/h6-9H,5,10,16H2,1-4H3
InChIKeyXEMLUKRZZMASCH-UHFFFAOYSA-N
XLogP2.44
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 79589077) is 2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is CCn1nc(C)cc1COc1cc(N(C)C)ccc1N.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is XEMLUKRZZMASCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-19-13(8-11(2)17-19)10-20-15-9-12(18(3)4)6-7-14(15)16/h6-9H,5,10,16H2,1-4H3.
What are the key properties of 2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 79589077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).