N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide

C9H15N3O2 — CID 126517730

IUPACN-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(C)=O)n(C)n1
InChIInChI=1S/C9H15N3O2/c1-7(13)11(2)6-8-5-9(14-4)10-12(8)3/h5H,6H2,1-4H3
InChIKeyKGWICUVLOQQADD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.41
Rot. Bonds3

About N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide

N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide (PubChem CID 126517730) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
PubChem CID126517730
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(C)=O)n(C)n1
InChIInChI=1S/C9H15N3O2/c1-7(13)11(2)6-8-5-9(14-4)10-12(8)3/h5H,6H2,1-4H3
InChIKeyKGWICUVLOQQADD-UHFFFAOYSA-N
XLogP0.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Isolan
CID 8393
5-methoxy-1,3-dimethyl-1H-pyrazole
CID 581065
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CID 54031
1-Ethyl-5-methoxy-3-(trifluoromethyl)pyrazole
CID 19080777
1-[5-Methoxy-3-(trifluoromethyl)pyrazol-1-yl]propan-2-one
CID 57742231
1-[3-(Fluoromethyl)-5-methoxypyrazol-1-yl]propan-2-one
CID 118449694
1-Butyl-5-methoxy-3-(trifluoromethyl)pyrazole
CID 151494719
5-Methoxy-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 169838417
Ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole
CID 172596805
3-Methoxy-1,5-dimethyl-1H-pyrazole
CID 23279524
5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide
CID 99832501
6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione
CID 114256777

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide (CID 126517730) is N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide is COc1cc(CN(C)C(C)=O)n(C)n1.
What is the InChIKey of N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide?
The InChIKey is KGWICUVLOQQADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(13)11(2)6-8-5-9(14-4)10-12(8)3/h5H,6H2,1-4H3.
What are the key properties of N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide?
N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide has a molecular weight of 197.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 126517730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).