N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide

C18H16FN3O2 — CID 155919581

IUPACN-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1[nH]ncc1-c1cccc(F)c1
InChIInChI=1S/C18H16FN3O2/c19-14-6-4-5-13(11-14)16-12-20-22-18(16)21-17(23)9-10-24-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H2,20,21,22,23)
InChIKeyORXDGAASNJEZFI-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.62
Rot. Bonds6

About N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide

N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide (PubChem CID 155919581) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide
PubChem CID155919581
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1[nH]ncc1-c1cccc(F)c1
InChIInChI=1S/C18H16FN3O2/c19-14-6-4-5-13(11-14)16-12-20-22-18(16)21-17(23)9-10-24-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H2,20,21,22,23)
InChIKeyORXDGAASNJEZFI-UHFFFAOYSA-N
XLogP3.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691171
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
CID 39183994
3-phenoxy-N-(5-phenyl-3-pyridinyl)propanamide
CID 110713724
N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
CID 28938605
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid
CID 64529225
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide
CID 78913810
4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 55939279
N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781
3-(4-methoxyphenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 115630345
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide?
The IUPAC name of N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide (CID 155919581) is N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1[nH]ncc1-c1cccc(F)c1.
What is the InChIKey of N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide?
The InChIKey is ORXDGAASNJEZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-6-4-5-13(11-14)16-12-20-22-18(16)21-17(23)9-10-24-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H2,20,21,22,23).
What are the key properties of N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide?
N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide has a molecular weight of 325.34 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide is sourced from PubChem (CID 155919581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).