2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide

C7H10ClN3O2 — CID 130892989

IUPAC2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide
SMILESCn1[nH]c(CNC(=O)CCl)cc1=O
InChIInChI=1S/C7H10ClN3O2/c1-11-7(13)2-5(10-11)4-9-6(12)3-8/h2,10H,3-4H2,1H3,(H,9,12)
InChIKeyGSPBRJOXHRGWPN-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.43
Rot. Bonds3

About 2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide

2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 130892989) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID130892989
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide
SMILESCn1[nH]c(CNC(=O)CCl)cc1=O
InChIInChI=1S/C7H10ClN3O2/c1-11-7(13)2-5(10-11)4-9-6(12)3-8/h2,10H,3-4H2,1H3,(H,9,12)
InChIKeyGSPBRJOXHRGWPN-UHFFFAOYSA-N
XLogP-0.43
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide
CID 130891535
1,2-dimethyl-3-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]guanidine
CID 131008226
3-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 83846166
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-chloroacetamide
CID 166430893
N-[(4-bromo-1H-pyrrol-2-yl)methyl]-2-chloroacetamide
CID 130614550
2-chloro-N-[(3,5-dimethylphenyl)methyl]acetamide
CID 12767964
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-chloro-N-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]acetamide
CID 166415823
2-chloro-N-[(3-hydroxy-4-methylphenyl)methyl]acetamide
CID 166415827
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
2-chloro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide
CID 166407820
2-chloro-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]acetamide
CID 131071456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide (CID 130892989) is 2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide is Cn1[nH]c(CNC(=O)CCl)cc1=O.
What is the InChIKey of 2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is GSPBRJOXHRGWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-11-7(13)2-5(10-11)4-9-6(12)3-8/h2,10H,3-4H2,1H3,(H,9,12).
What are the key properties of 2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide?
2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 203.63 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 130892989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).