N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide

C6H8ClN3O2 — CID 130905185

IUPACN-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cn[nH]c1Cl
InChIInChI=1S/C6H8ClN3O2/c1-12-3-5(11)9-4-2-8-10-6(4)7/h2H,3H2,1H3,(H,8,10)(H,9,11)
InChIKeyUHIFRVFZSLVENO-UHFFFAOYSA-N
MW189.60 g/mol
LogP0.65
Rot. Bonds3

About N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide

N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide (PubChem CID 130905185) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide
PubChem CID130905185
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC NameN-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cn[nH]c1Cl
InChIInChI=1S/C6H8ClN3O2/c1-12-3-5(11)9-4-2-8-10-6(4)7/h2H,3H2,1H3,(H,8,10)(H,9,11)
InChIKeyUHIFRVFZSLVENO-UHFFFAOYSA-N
XLogP0.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide?
The IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide (CID 130905185) is N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide?
The canonical SMILES for N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide is COCC(=O)Nc1cn[nH]c1Cl.
What is the InChIKey of N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide?
The InChIKey is UHIFRVFZSLVENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c1-12-3-5(11)9-4-2-8-10-6(4)7/h2H,3H2,1H3,(H,8,10)(H,9,11).
What are the key properties of N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide?
N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide has a molecular weight of 189.60 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide is sourced from PubChem (CID 130905185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).