N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide

C13H13ClFN3O2 — CID 39854140

IUPACN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nn(Cc2ccccc2F)cc1Cl
InChIInChI=1S/C13H13ClFN3O2/c1-20-8-12(19)16-13-10(14)7-18(17-13)6-9-4-2-3-5-11(9)15/h2-5,7H,6,8H2,1H3,(H,16,17,19)
InChIKeyVHKKZHCICSXYDF-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.31
Rot. Bonds5

About N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide (PubChem CID 39854140) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
PubChem CID39854140
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC NameN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nn(Cc2ccccc2F)cc1Cl
InChIInChI=1S/C13H13ClFN3O2/c1-20-8-12(19)16-13-10(14)7-18(17-13)6-9-4-2-3-5-11(9)15/h2-5,7H,6,8H2,1H3,(H,16,17,19)
InChIKeyVHKKZHCICSXYDF-UHFFFAOYSA-N
XLogP2.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-1H-pyrazol-3-yl)acetamide
CID 12572469
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]acetamide
CID 1247534
N-[2-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-3-yl]acetamide
CID 95045828
N-[4-bromo-1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]tetrahydrofuran-2-carboxamide
CID 2970400
1-{4-Chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl}azolidine-2,5-dione
CID 19585658
1-[4-chloro-1-(3-fluorobenzyl)-1H-pyrazol-3-yl]pyrrolidine-2,5-dione
CID 19585699
4-[[4-Chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]amino]-4-oxobutanoic acid
CID 39853514
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
CID 39891168
N-(1-benzylpyrazol-3-yl)-2-(cyclopropylmethoxy)propanamide
CID 48498772
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-1,4-dioxane-2-carboxamide
CID 71935764
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681253
N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 97204186

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide (CID 39854140) is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide is COCC(=O)Nc1nn(Cc2ccccc2F)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
The InChIKey is VHKKZHCICSXYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-20-8-12(19)16-13-10(14)7-18(17-13)6-9-4-2-3-5-11(9)15/h2-5,7H,6,8H2,1H3,(H,16,17,19).
What are the key properties of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide has a molecular weight of 297.72 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 39854140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).