1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide

C17H13ClFN3O2 — CID 4774958

IUPAC1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C17H13ClFN3O2/c18-12-5-1-4-8-16(12)24-11-22-10-9-15(21-22)17(23)20-14-7-3-2-6-13(14)19/h1-10H,11H2,(H,20,23)
InChIKeyHPRJGVYMWQAZSB-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.96
Rot. Bonds5

About 1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide

1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 4774958) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is 1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID4774958
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Name1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C17H13ClFN3O2/c18-12-5-1-4-8-16(12)24-11-22-10-9-15(21-22)17(23)20-14-7-3-2-6-13(14)19/h1-10H,11H2,(H,20,23)
InChIKeyHPRJGVYMWQAZSB-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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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 17021920
1-[(2-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 17022012
N-(2,3-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4865750
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19265181
1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
CID 35529448
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536
1-[(2-chlorophenoxy)methyl]-N-octadecylpyrazole-3-carboxamide
CID 19265104
1-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4867001
1-[(2,6-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269950
N-(2,6-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4864754
1-[(2-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581793
N-(2,6-dichlorophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269237

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide (CID 4774958) is 1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccccc1F)c1ccn(COc2ccccc2Cl)n1.
What is the InChIKey of 1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is HPRJGVYMWQAZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c18-12-5-1-4-8-16(12)24-11-22-10-9-15(21-22)17(23)20-14-7-3-2-6-13(14)19/h1-10H,11H2,(H,20,23).
What are the key properties of 1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide?
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)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 1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4774958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).