N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide

C22H24FN3O2 — CID 55521884

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cnn(-c3ccccc3F)c2C)c1
InChIInChI=1S/C22H24FN3O2/c1-15-11-16(2)13-18(12-15)28-10-9-25(4)22(27)19-14-24-26(17(19)3)21-8-6-5-7-20(21)23/h5-8,11-14H,9-10H2,1-4H3
InChIKeyZUONIMQVEPUQLH-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 55521884) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
PubChem CID55521884
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cnn(-c3ccccc3F)c2C)c1
InChIInChI=1S/C22H24FN3O2/c1-15-11-16(2)13-18(12-15)28-10-9-25(4)22(27)19-14-24-26(17(19)3)21-8-6-5-7-20(21)23/h5-8,11-14H,9-10H2,1-4H3
InChIKeyZUONIMQVEPUQLH-UHFFFAOYSA-N
XLogP4.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55650229
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 34472485
N-[2-(diethylamino)-2-oxoethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39948043
1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 71850172
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189252
1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 134047410
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 109399843
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 134026351
1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 47081624
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide
CID 134044870
N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
CID 111596653
N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 31795650

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide (CID 55521884) is N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)c2cnn(-c3ccccc3F)c2C)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is ZUONIMQVEPUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-11-16(2)13-18(12-15)28-10-9-25(4)22(27)19-14-24-26(17(19)3)21-8-6-5-7-20(21)23/h5-8,11-14H,9-10H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55521884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).