N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide

C17H13ClFN3O2 — CID 4774120

IUPACN-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccn(COc2ccccc2F)n1
InChIInChI=1S/C17H13ClFN3O2/c18-12-5-1-3-7-14(12)20-17(23)15-9-10-22(21-15)11-24-16-8-4-2-6-13(16)19/h1-10H,11H2,(H,20,23)
InChIKeyVUHKPVOUNCZVMB-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.96
Rot. Bonds5

About N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide

N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4774120) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4774120
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC NameN-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccn(COc2ccccc2F)n1
InChIInChI=1S/C17H13ClFN3O2/c18-12-5-1-3-7-14(12)20-17(23)15-9-10-22(21-15)11-24-16-8-4-2-6-13(16)19/h1-10H,11H2,(H,20,23)
InChIKeyVUHKPVOUNCZVMB-UHFFFAOYSA-N
XLogP3.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide (CID 4774120) is N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide is O=C(Nc1ccccc1Cl)c1ccn(COc2ccccc2F)n1.
What is the InChIKey of N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is VUHKPVOUNCZVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c18-12-5-1-3-7-14(12)20-17(23)15-9-10-22(21-15)11-24-16-8-4-2-6-13(16)19/h1-10H,11H2,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 345.76 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4774120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).