2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide

C11H21N5O — CID 66011861

IUPAC2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1c(N)c(C)nn1CC
InChIInChI=1S/C11H21N5O/c1-5-13-9(17)7-15(4)11-10(12)8(3)14-16(11)6-2/h5-7,12H2,1-4H3,(H,13,17)
InChIKeyPDPIHFNJTOYXFN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.37
Rot. Bonds5

About 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide

2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide (PubChem CID 66011861) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide
PubChem CID66011861
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1c(N)c(C)nn1CC
InChIInChI=1S/C11H21N5O/c1-5-13-9(17)7-15(4)11-10(12)8(3)14-16(11)6-2/h5-7,12H2,1-4H3,(H,13,17)
InChIKeyPDPIHFNJTOYXFN-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 66029961
5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine
CID 66011650
1-ethyl-5-N,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66012482
4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol
CID 114947756
1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine
CID 66013014
N-ethyl-2-[ethyl(methyl)amino]acetamide;hydrochloride
CID 130736747
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide
CID 66125449
1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
CID 66011883
1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine
CID 66011670
4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide
CID 104550920
4-amino-1-ethyl-3-methyl-N,N-dipropylpyrazole-5-carboxamide
CID 66123658
4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123685

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide (CID 66011861) is 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1c(N)c(C)nn1CC.
What is the InChIKey of 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide?
The InChIKey is PDPIHFNJTOYXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-13-9(17)7-15(4)11-10(12)8(3)14-16(11)6-2/h5-7,12H2,1-4H3,(H,13,17).
What are the key properties of 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide?
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 66011861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).