4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine

C16H24N4O — CID 63785720

IUPAC4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
SMILESCOCCN(C)c1c(CCN)c(C)nn1-c1ccccc1
InChIInChI=1S/C16H24N4O/c1-13-15(9-10-17)16(19(2)11-12-21-3)20(18-13)14-7-5-4-6-8-14/h4-8H,9-12,17H2,1-3H3
InChIKeyITVWFICESFCILF-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.76
Rot. Bonds7

About 4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine

4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine (PubChem CID 63785720) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
PubChem CID63785720
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
SMILESCOCCN(C)c1c(CCN)c(C)nn1-c1ccccc1
InChIInChI=1S/C16H24N4O/c1-13-15(9-10-17)16(19(2)11-12-21-3)20(18-13)14-7-5-4-6-8-14/h4-8H,9-12,17H2,1-3H3
InChIKeyITVWFICESFCILF-UHFFFAOYSA-N
XLogP1.76
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethyl)-N-ethyl-3-methyl-1-phenyl-N-propylpyrazol-5-amine
CID 63783051
4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43122262
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine
CID 20983039
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
CID 20983040
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
3-[[4-(chloromethyl)-3-methyl-1-phenylpyrazol-5-yl]-methylamino]propanenitrile
CID 28964428
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82714639
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 43281591

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine (CID 63785720) is 4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine is COCCN(C)c1c(CCN)c(C)nn1-c1ccccc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine?
The InChIKey is ITVWFICESFCILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-15(9-10-17)16(19(2)11-12-21-3)20(18-13)14-7-5-4-6-8-14/h4-8H,9-12,17H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine?
4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine has a molecular weight of 288.39 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 63785720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).