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

C13H13ClFN3O2 — CID 39891168

IUPACN-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H13ClFN3O2/c1-20-8-12(19)16-13-11(14)7-18(17-13)6-9-2-4-10(15)5-3-9/h2-5,7H,6,8H2,1H3,(H,16,17,19)
InChIKeyOHACNGILOPGOAV-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.31
Rot. Bonds5

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

N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide (PubChem CID 39891168) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
PubChem CID39891168
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC NameN-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H13ClFN3O2/c1-20-8-12(19)16-13-11(14)7-18(17-13)6-9-2-4-10(15)5-3-9/h2-5,7H,6,8H2,1H3,(H,16,17,19)
InChIKeyOHACNGILOPGOAV-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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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide (CID 39891168) is N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide is COCC(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
The InChIKey is OHACNGILOPGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-20-8-12(19)16-13-11(14)7-18(17-13)6-9-2-4-10(15)5-3-9/h2-5,7H,6,8H2,1H3,(H,16,17,19).
What are the key properties of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide?
N-[4-chloro-1-[(4-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-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 39891168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).