4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine

C15H22N4 — CID 63784911

IUPAC4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2ccccc2)c1CCN
InChIInChI=1S/C15H22N4/c1-12-14(9-10-16)15(19(3)17-12)18(2)11-13-7-5-4-6-8-13/h4-8H,9-11,16H2,1-3H3
InChIKeyCRRAXJDXEPSSDR-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.87
Rot. Bonds5

About 4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine

4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine (PubChem CID 63784911) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
PubChem CID63784911
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2ccccc2)c1CCN
InChIInChI=1S/C15H22N4/c1-12-14(9-10-16)15(19(3)17-12)18(2)11-13-7-5-4-6-8-13/h4-8H,9-11,16H2,1-3H3
InChIKeyCRRAXJDXEPSSDR-UHFFFAOYSA-N
XLogP1.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 63785903
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine
CID 55235606
5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751974
5-[benzyl(methyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952062
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine
CID 63865652
4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 63815150
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63782929
4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 63785720
3-[[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]benzonitrile
CID 62980819
4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine
CID 55237561
N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416689
2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
CID 95465608

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine (CID 63784911) is 4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine is Cc1nn(C)c(N(C)Cc2ccccc2)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is CRRAXJDXEPSSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-14(9-10-16)15(19(3)17-12)18(2)11-13-7-5-4-6-8-13/h4-8H,9-11,16H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine?
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 258.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 63784911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).