2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C11H21N5O — CID 62687728

IUPAC2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN(C)CCN
InChIInChI=1S/C11H21N5O/c1-8-11(9(2)16(4)14-8)13-10(17)7-15(3)6-5-12/h5-7,12H2,1-4H3,(H,13,17)
InChIKeyFPORFCMBXWVAPE-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds5

About 2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 62687728) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID62687728
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN(C)CCN
InChIInChI=1S/C11H21N5O/c1-8-11(9(2)16(4)14-8)13-10(17)7-15(3)6-5-12/h5-7,12H2,1-4H3,(H,13,17)
InChIKeyFPORFCMBXWVAPE-UHFFFAOYSA-N
XLogP-0.13
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetate
CID 62011215
2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60686676
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111858654
N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
CID 9125891
2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43249575
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8552057
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propylamino]-N-propylacetamide
CID 87015037
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 87014799
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8791575

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 62687728) is 2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN(C)CCN.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is FPORFCMBXWVAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8-11(9(2)16(4)14-8)13-10(17)7-15(3)6-5-12/h5-7,12H2,1-4H3,(H,13,17).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 62687728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).