2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C7H10ClN3O — CID 806433

IUPAC2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CCl
InChIInChI=1S/C7H10ClN3O/c1-4-7(5(2)11-10-4)9-6(12)3-8/h3H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyFLZODFBFXMTSKH-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.20
Rot. Bonds2

About 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 806433) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID806433
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CCl
InChIInChI=1S/C7H10ClN3O/c1-4-7(5(2)11-10-4)9-6(12)3-8/h3H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyFLZODFBFXMTSKH-UHFFFAOYSA-N
XLogP1.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-Dimethyl-1H-pyrazol-4-yl)butanamide
CID 740336
2-chloro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide hydrochloride
CID 16187271
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(methylamino)acetamide
CID 2452215
N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 745362
2-Chloro-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide
CID 785309
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide
CID 43399085
N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
CID 57840464
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropanamide
CID 43546967
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide
CID 60703799
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutanamide
CID 65711582
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310270
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetamide
CID 103514030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 806433) is 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is FLZODFBFXMTSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4-7(5(2)11-10-4)9-6(12)3-8/h3H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 187.63 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 806433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).