methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide

C11H22N4O3 — CID 144778806

IUPACmethanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide
SMILESCN.COCCn1[nH]c(=O)c(CNC(C)=O)c1C
InChIInChI=1S/C10H17N3O3.CH5N/c1-7-9(6-11-8(2)14)10(15)12-13(7)4-5-16-3;1-2/h4-6H2,1-3H3,(H,11,14)(H,12,15);2H2,1H3
InChIKeyVNYZCVDCLGQCOB-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.66
Rot. Bonds5

About methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide

methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide (PubChem CID 144778806) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Namemethanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide
PubChem CID144778806
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Namemethanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide
SMILESCN.COCCn1[nH]c(=O)c(CNC(C)=O)c1C
InChIInChI=1S/C10H17N3O3.CH5N/c1-7-9(6-11-8(2)14)10(15)12-13(7)4-5-16-3;1-2/h4-6H2,1-3H3,(H,11,14)(H,12,15);2H2,1H3
InChIKeyVNYZCVDCLGQCOB-UHFFFAOYSA-N
XLogP-0.66
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate
CID 91170517
2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide
CID 121368070
N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
CID 121368071
N-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
CID 121368072
N-[(2-ethyl-3-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 121368080
N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide
CID 121368083
N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-2-methylpropanamide
CID 121368087
N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2,2-dimethylpropanamide
CID 121368089
2,2-dimethyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide
CID 121368091
2,2-dimethyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]propanamide
CID 121368092
2-methyl-N-[(5-methyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)methyl]propanamide
CID 121368106
N-[[2-(2-methoxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]acetamide
CID 121371033

Frequently Asked Questions

What is the IUPAC name of methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide?
The IUPAC name of methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide (CID 144778806) is methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide is CN.COCCn1[nH]c(=O)c(CNC(C)=O)c1C.
What is the InChIKey of methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide?
The InChIKey is VNYZCVDCLGQCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3.CH5N/c1-7-9(6-11-8(2)14)10(15)12-13(7)4-5-16-3;1-2/h4-6H2,1-3H3,(H,11,14)(H,12,15);2H2,1H3.
What are the key properties of methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide?
methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N-[[2-(2-methoxyethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 144778806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).