N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide

C12H12ClN3O2 — CID 71993390

IUPACN-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccnn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-18-8-12(17)15-11-6-7-14-16(11)10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,15,17)
InChIKeyNHPHSJPDLDPFNN-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide

N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide (PubChem CID 71993390) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
PubChem CID71993390
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccnn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-18-8-12(17)15-11-6-7-14-16(11)10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,15,17)
InChIKeyNHPHSJPDLDPFNN-UHFFFAOYSA-N
XLogP2.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
N-(3-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808886
2-ethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 56789802
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide
CID 71993387
N-[2-(4-chlorophenyl)pyrazol-3-yl]-3-ethoxypropanamide
CID 72118219
3-methoxy-N-(2-phenylpyrazol-3-yl)propanamide
CID 72118361
N-(1-(1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methyl-1H-pyrazol-5-yl)-2-methoxyacetamide
CID 135880908
(2S,3S)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 136586600
N-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide
CID 14277127
N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide
CID 14517407
N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]propanamide
CID 14517410

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide (CID 71993390) is N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide is COCC(=O)Nc1ccnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide?
The InChIKey is NHPHSJPDLDPFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-18-8-12(17)15-11-6-7-14-16(11)10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide?
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide has a molecular weight of 265.70 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 71993390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).