2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C8H12ClN3O — CID 19619342

IUPAC2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCN(Cc1ccnn1C)C(=O)CCl
InChIInChI=1S/C8H12ClN3O/c1-11(8(13)5-9)6-7-3-4-10-12(7)2/h3-4H,5-6H2,1-2H3
InChIKeySHOUJTSJFNNHAL-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.62
Rot. Bonds3

About 2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide

2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19619342) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19619342
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCN(Cc1ccnn1C)C(=O)CCl
InChIInChI=1S/C8H12ClN3O/c1-11(8(13)5-9)6-7-3-4-10-12(7)2/h3-4H,5-6H2,1-2H3
InChIKeySHOUJTSJFNNHAL-UHFFFAOYSA-N
XLogP0.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531074
3-butyl-1-methyl-1-[(2-methylpyrazol-3-yl)methyl]urea
CID 19462474
2-chloro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide;hydrochloride
CID 138041016
2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19581466
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531250
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 19616909
4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515350
4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
CID 115883105
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458189
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19458164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 19619342) is 2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide is CN(Cc1ccnn1C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is SHOUJTSJFNNHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-11(8(13)5-9)6-7-3-4-10-12(7)2/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 201.66 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19619342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).