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

C7H10ClN3O — CID 104617747

IUPAC2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)CCl)c1C
InChIInChI=1S/C7H10ClN3O/c1-4-5(2)10-11-7(4)9-6(12)3-8/h3H2,1-2H3,(H2,9,10,11,12)
InChIKeyPLMQBBXAXZKKSG-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.20
Rot. Bonds2

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

2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 104617747) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
PubChem CID104617747
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)CCl)c1C
InChIInChI=1S/C7H10ClN3O/c1-4-5(2)10-11-7(4)9-6(12)3-8/h3H2,1-2H3,(H2,9,10,11,12)
InChIKeyPLMQBBXAXZKKSG-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

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(ethylamino)propanamide
CID 104618770
2-[acetyl(methyl)amino]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115610237
2-cyclopentyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115610162
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide
CID 103021329
2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594824
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide
CID 104618844
6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide
CID 104618745
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 115610204
2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618675
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
CID 115594855
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 86848927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (CID 104617747) is 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is Cc1[nH]nc(NC(=O)CCl)c1C.
What is the InChIKey of 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is PLMQBBXAXZKKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4-5(2)10-11-7(4)9-6(12)3-8/h3H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-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-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 104617747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).