N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide

C20H20FN3O2 — CID 34472485

IUPACN-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccc(F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H20FN3O2/c1-15-19(14-22-24(15)17-6-4-3-5-7-17)20(25)23(2)12-13-26-18-10-8-16(21)9-11-18/h3-11,14H,12-13H2,1-2H3
InChIKeyQTIKTSPSBWVUMP-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 34472485) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID34472485
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccc(F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H20FN3O2/c1-15-19(14-22-24(15)17-6-4-3-5-7-17)20(25)23(2)12-13-26-18-10-8-16(21)9-11-18/h3-11,14H,12-13H2,1-2H3
InChIKeyQTIKTSPSBWVUMP-UHFFFAOYSA-N
XLogP3.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 55521884
N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 78863932
N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39627748
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866
N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39862153
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide
CID 46413058
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558
1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 38488734
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 34472485) is N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)CCOc2ccc(F)cc2)cnn1-c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is QTIKTSPSBWVUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-15-19(14-22-24(15)17-6-4-3-5-7-17)20(25)23(2)12-13-26-18-10-8-16(21)9-11-18/h3-11,14H,12-13H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 34472485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).