2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide

C13H25N5O2 — CID 66029961

IUPAC2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCCn1nc(C)c(N)c1N(C)CC(=O)NCCOC
InChIInChI=1S/C13H25N5O2/c1-5-7-18-13(12(14)10(2)16-18)17(3)9-11(19)15-6-8-20-4/h5-9,14H2,1-4H3,(H,15,19)
InChIKeyDMOMZKXEOMPHPA-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.38
Rot. Bonds8

About 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 66029961) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID66029961
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCCn1nc(C)c(N)c1N(C)CC(=O)NCCOC
InChIInChI=1S/C13H25N5O2/c1-5-7-18-13(12(14)10(2)16-18)17(3)9-11(19)15-6-8-20-4/h5-9,14H2,1-4H3,(H,15,19)
InChIKeyDMOMZKXEOMPHPA-UHFFFAOYSA-N
XLogP0.38
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide
CID 66011861
5-N,3-dimethyl-5-N-pentyl-1-propylpyrazole-4,5-diamine
CID 66027038
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80987749
5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine
CID 66028997
5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66027818
5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine
CID 66029209
5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66027633
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
N-(2-methoxyethyl)-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632056
2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54989562

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 66029961) is 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide is CCCn1nc(C)c(N)c1N(C)CC(=O)NCCOC.
What is the InChIKey of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is DMOMZKXEOMPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-5-7-18-13(12(14)10(2)16-18)17(3)9-11(19)15-6-8-20-4/h5-9,14H2,1-4H3,(H,15,19).
What are the key properties of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 66029961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).