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

C18H16FN3O2 — CID 4864797

IUPAC1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccn(COc3ccccc3F)n2)c1
InChIInChI=1S/C18H16FN3O2/c1-13-5-4-6-14(11-13)20-18(23)16-9-10-22(21-16)12-24-17-8-3-2-7-15(17)19/h2-11H,12H2,1H3,(H,20,23)
InChIKeyULDSARYYODYYDF-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.62
Rot. Bonds5

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

1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide (PubChem CID 4864797) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide
PubChem CID4864797
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccn(COc3ccccc3F)n2)c1
InChIInChI=1S/C18H16FN3O2/c1-13-5-4-6-14(11-13)20-18(23)16-9-10-22(21-16)12-24-17-8-3-2-7-15(17)19/h2-11H,12H2,1H3,(H,20,23)
InChIKeyULDSARYYODYYDF-UHFFFAOYSA-N
XLogP3.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774451
N-(3-fluoro-4-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4865744
N-(2,6-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4864754
N-(2,3-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4865750
1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide
CID 19269594
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774030
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-fluoro-4-methylphenyl)pyrazole-3-carboxamide
CID 4865633
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide
CID 19274639
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277492
1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19272772

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide (CID 4864797) is 1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide is Cc1cccc(NC(=O)c2ccn(COc3ccccc3F)n2)c1.
What is the InChIKey of 1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is ULDSARYYODYYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-13-5-4-6-14(11-13)20-18(23)16-9-10-22(21-16)12-24-17-8-3-2-7-15(17)19/h2-11H,12H2,1H3,(H,20,23).
What are the key properties of 1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide?
1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4864797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).