N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide

C20H20FN3O2 — CID 140602517

IUPACN-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Oc2cccc(F)c2)c1-c1cc(C)nn1C
InChIInChI=1S/C20H20FN3O2/c1-4-19(25)22-16-9-6-10-18(26-15-8-5-7-14(21)12-15)20(16)17-11-13(2)23-24(17)3/h5-12H,4H2,1-3H3,(H,22,25)
InChIKeySYHDLFFPADVQOC-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.68
Rot. Bonds5

About N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide

N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide (PubChem CID 140602517) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide
PubChem CID140602517
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Oc2cccc(F)c2)c1-c1cc(C)nn1C
InChIInChI=1S/C20H20FN3O2/c1-4-19(25)22-16-9-6-10-18(26-15-8-5-7-14(21)12-15)20(16)17-11-13(2)23-24(17)3/h5-12H,4H2,1-3H3,(H,22,25)
InChIKeySYHDLFFPADVQOC-UHFFFAOYSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenoxy)phenyl]acetamide
CID 52725356
N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55982859
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784
N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 86890503
5-(2,6-difluorophenyl)-1,3-dimethylpyrazole
CID 66614304
N-[2-(3-fluorophenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55982987
N-[2-(2-pyrrolidin-1-ylethyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]propanamide
CID 140602516
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide
CID 60557251
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 41075466
N-[2-[2-(3-fluorophenoxy)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 55980707
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
CID 71934131

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide?
The IUPAC name of N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide (CID 140602517) is N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide.
What is the SMILES notation for N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide?
The canonical SMILES for N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide is CCC(=O)Nc1cccc(Oc2cccc(F)c2)c1-c1cc(C)nn1C.
What is the InChIKey of N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide?
The InChIKey is SYHDLFFPADVQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-4-19(25)22-16-9-6-10-18(26-15-8-5-7-14(21)12-15)20(16)17-11-13(2)23-24(17)3/h5-12H,4H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide?
N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide has a molecular weight of 353.40 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenoxy)phenyl]propanamide is sourced from PubChem (CID 140602517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).