2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide

C11H20N6O2 — CID 62922627

IUPAC2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide
SMILESCNCc1c(C)nn(C)c1N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H20N6O2/c1-7-8(4-14-2)11(16(3)15-7)17(5-9(12)18)6-10(13)19/h14H,4-6H2,1-3H3,(H2,12,18)(H2,13,19)
InChIKeyYKPGPXHZEBBHBK-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.78
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide (PubChem CID 62922627) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide
PubChem CID62922627
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide
SMILESCNCc1c(C)nn(C)c1N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H20N6O2/c1-7-8(4-14-2)11(16(3)15-7)17(5-9(12)18)6-10(13)19/h14H,4-6H2,1-3H3,(H2,12,18)(H2,13,19)
InChIKeyYKPGPXHZEBBHBK-UHFFFAOYSA-N
XLogP-1.78
TPSA119.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]azepan-2-one
CID 51104975
N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
CID 51105188
N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
CID 51105239
4-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539334
N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-4-methylpentanamide
CID 53540973
N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-3,3-dimethylbutanamide
CID 53541117
N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-2-ethylbutanamide
CID 53542503
N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-2,2-dimethylpropanamide
CID 53545160
N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-2-methylbutanamide
CID 53546486
N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]acetamide
CID 53584323
3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-propan-2-ylpropanamide
CID 56822598
4-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]-N-methylbutanamide
CID 56822609

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide (CID 62922627) is 2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide is CNCc1c(C)nn(C)c1N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide?
The InChIKey is YKPGPXHZEBBHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-7-8(4-14-2)11(16(3)15-7)17(5-9(12)18)6-10(13)19/h14H,4-6H2,1-3H3,(H2,12,18)(H2,13,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide has a molecular weight of 268.32 g/mol, XLogP of -1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide is sourced from PubChem (CID 62922627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).