4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline

C16H24N4 — CID 105109386

IUPAC4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline
SMILESCCNC(c1ccc(N(C)C)cc1)c1cnn(CC)c1
InChIInChI=1S/C16H24N4/c1-5-17-16(14-11-18-20(6-2)12-14)13-7-9-15(10-8-13)19(3)4/h7-12,16-17H,5-6H2,1-4H3
InChIKeyGRMNKUWXXNQIFV-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.67
Rot. Bonds6

About 4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline

4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline (PubChem CID 105109386) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline
PubChem CID105109386
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline
SMILESCCNC(c1ccc(N(C)C)cc1)c1cnn(CC)c1
InChIInChI=1S/C16H24N4/c1-5-17-16(14-11-18-20(6-2)12-14)13-7-9-15(10-8-13)19(3)4/h7-12,16-17H,5-6H2,1-4H3
InChIKeyGRMNKUWXXNQIFV-UHFFFAOYSA-N
XLogP2.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine
CID 115815706
N-[(4-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816140
N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine
CID 62717263
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115
N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 105108938
4-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149884
N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815972
N-[(3-bromo-2-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107952538
[(1-ethylpyrazol-4-yl)-(4-methylphenyl)methyl]hydrazine
CID 105194304
N-[(3-chloro-4-iodophenyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103214759
N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107945249
N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816038

Frequently Asked Questions

What is the IUPAC name of 4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline (CID 105109386) is 4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline is CCNC(c1ccc(N(C)C)cc1)c1cnn(CC)c1.
What is the InChIKey of 4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
The InChIKey is GRMNKUWXXNQIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-17-16(14-11-18-20(6-2)12-14)13-7-9-15(10-8-13)19(3)4/h7-12,16-17H,5-6H2,1-4H3.
What are the key properties of 4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline has a molecular weight of 272.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105109386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).