N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide

C20H20FN3O2 — CID 47035459

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1F)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H20FN3O2/c21-18-8-4-5-9-19(18)26-11-10-20(25)22-12-17-13-23-24(15-17)14-16-6-2-1-3-7-16/h1-9,13,15H,10-12,14H2,(H,22,25)
InChIKeyNLFSUZUSQWRPMP-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.16
Rot. Bonds8

About N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide

N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide (PubChem CID 47035459) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
PubChem CID47035459
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1F)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H20FN3O2/c21-18-8-4-5-9-19(18)26-11-10-20(25)22-12-17-13-23-24(15-17)14-16-6-2-1-3-7-16/h1-9,13,15H,10-12,14H2,(H,22,25)
InChIKeyNLFSUZUSQWRPMP-UHFFFAOYSA-N
XLogP3.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51158751
3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
CID 87007539
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47065544
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 86861715
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 134013923
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
1-benzyl-4-(2-fluorophenoxy)pyrazole
CID 117234109
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 90652784

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide (CID 47035459) is N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide is O=C(CCOc1ccccc1F)NCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide?
The InChIKey is NLFSUZUSQWRPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-18-8-4-5-9-19(18)26-11-10-20(25)22-12-17-13-23-24(15-17)14-16-6-2-1-3-7-16/h1-9,13,15H,10-12,14H2,(H,22,25).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide?
N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide has a molecular weight of 353.40 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 47035459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).