2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide

C9H15N3O2 — CID 110470530

IUPAC2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCOCC(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C9H15N3O2/c1-7(11-9(13)6-14-3)8-4-10-12(2)5-8/h4-5,7H,6H2,1-3H3,(H,11,13)
InChIKeyNTZLZMYBODVLSZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.24
Rot. Bonds4

About 2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide

2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 110470530) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID110470530
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCOCC(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C9H15N3O2/c1-7(11-9(13)6-14-3)8-4-10-12(2)5-8/h4-5,7H,6H2,1-3H3,(H,11,13)
InChIKeyNTZLZMYBODVLSZ-UHFFFAOYSA-N
XLogP0.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241002
2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60638432
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 97347944
2-[(2S)-1,4-dithian-2-yl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97239921
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
1-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322404
N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide
CID 114286312
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CID 130520619
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CID 120550055

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 110470530) is 2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide is COCC(=O)NC(C)c1cnn(C)c1.
What is the InChIKey of 2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is NTZLZMYBODVLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(11-9(13)6-14-3)8-4-10-12(2)5-8/h4-5,7H,6H2,1-3H3,(H,11,13).
What are the key properties of 2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 197.24 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 110470530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).