2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide

C13H23N5O2 — CID 61110124

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide
SMILESCc1nn(CC(=O)N(CC(N)=O)CC(C)C)c(C)c1N
InChIInChI=1S/C13H23N5O2/c1-8(2)5-17(6-11(14)19)12(20)7-18-10(4)13(15)9(3)16-18/h8H,5-7,15H2,1-4H3,(H2,14,19)
InChIKeyKMCYMPDTVKFFME-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.05
Rot. Bonds6

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide (PubChem CID 61110124) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide
PubChem CID61110124
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide
SMILESCc1nn(CC(=O)N(CC(N)=O)CC(C)C)c(C)c1N
InChIInChI=1S/C13H23N5O2/c1-8(2)5-17(6-11(14)19)12(20)7-18-10(4)13(15)9(3)16-18/h8H,5-7,15H2,1-4H3,(H2,14,19)
InChIKeyKMCYMPDTVKFFME-UHFFFAOYSA-N
XLogP0.05
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 61116881
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 61105427
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79384572
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-methoxyethyl)acetamide
CID 61443783
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107396881
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112656429
4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123685
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyridin-4-ylacetamide
CID 106934214
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 61114497
2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 102322542
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61108035

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide (CID 61110124) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide is Cc1nn(CC(=O)N(CC(N)=O)CC(C)C)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide?
The InChIKey is KMCYMPDTVKFFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-8(2)5-17(6-11(14)19)12(20)7-18-10(4)13(15)9(3)16-18/h8H,5-7,15H2,1-4H3,(H2,14,19).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 61110124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).