N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide

C19H18FN3O2 — CID 4774451

IUPACN-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccn(COc3ccccc3F)n2)c1
InChIInChI=1S/C19H18FN3O2/c1-13-9-14(2)11-15(10-13)21-19(24)17-7-8-23(22-17)12-25-18-6-4-3-5-16(18)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyRSBFIZANZUGCCB-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.93
Rot. Bonds5

About N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide

N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4774451) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4774451
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccn(COc3ccccc3F)n2)c1
InChIInChI=1S/C19H18FN3O2/c1-13-9-14(2)11-15(10-13)21-19(24)17-7-8-23(22-17)12-25-18-6-4-3-5-16(18)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyRSBFIZANZUGCCB-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenoxy)methyl]-N-(3-methylphenyl)pyrazole-3-carboxamide
CID 4864797
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
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774030
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500034
1-[(2-chlorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide
CID 19265259
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-fluoro-4-methylphenyl)pyrazole-3-carboxamide
CID 4865633
1-[(2-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581793
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19265181

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide (CID 4774451) is N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide is Cc1cc(C)cc(NC(=O)c2ccn(COc3ccccc3F)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is RSBFIZANZUGCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-9-14(2)11-15(10-13)21-19(24)17-7-8-23(22-17)12-25-18-6-4-3-5-16(18)20/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4774451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).