N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide

C20H20FN3O2 — CID 167974623

IUPACN-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCOc2cnn(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H20FN3O2/c1-15(25)23-19-8-4-16(5-9-19)10-11-26-20-12-22-24(14-20)13-17-2-6-18(21)7-3-17/h2-9,12,14H,10-11,13H2,1H3,(H,23,25)
InChIKeyCUMTVWCWQKGVNW-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.65
Rot. Bonds7

About N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide

N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide (PubChem CID 167974623) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide
PubChem CID167974623
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCOc2cnn(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H20FN3O2/c1-15(25)23-19-8-4-16(5-9-19)10-11-26-20-12-22-24(14-20)13-17-2-6-18(21)7-3-17/h2-9,12,14H,10-11,13H2,1H3,(H,23,25)
InChIKeyCUMTVWCWQKGVNW-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
2-(4-acetamidophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572371
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284480
1-(3-chloro-4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 25237620
3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanoic acid
CID 122240608
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 129110837
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide (CID 167974623) is N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCOc2cnn(Cc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide?
The InChIKey is CUMTVWCWQKGVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-15(25)23-19-8-4-16(5-9-19)10-11-26-20-12-22-24(14-20)13-17-2-6-18(21)7-3-17/h2-9,12,14H,10-11,13H2,1H3,(H,23,25).
What are the key properties of N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide?
N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide is sourced from PubChem (CID 167974623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).