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

C21H22FN3O2 — CID 55650229

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2ccn(-c3ccccc3F)n2)c1
InChIInChI=1S/C21H22FN3O2/c1-15-12-16(2)14-17(13-15)27-11-10-24(3)21(26)19-8-9-25(23-19)20-7-5-4-6-18(20)22/h4-9,12-14H,10-11H2,1-3H3
InChIKeyFSFMEVKMLYZTLX-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.78
Rot. Bonds6

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

N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 55650229) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
PubChem CID55650229
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2ccn(-c3ccccc3F)n2)c1
InChIInChI=1S/C21H22FN3O2/c1-15-12-16(2)14-17(13-15)27-11-10-24(3)21(26)19-8-9-25(23-19)20-7-5-4-6-18(20)22/h4-9,12-14H,10-11H2,1-3H3
InChIKeyFSFMEVKMLYZTLX-UHFFFAOYSA-N
XLogP3.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
CID 55649566
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 55521884
1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 60589600
1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide
CID 55925389
1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 31795511
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide
CID 134044870
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide
CID 81037219
N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55647998
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 112732793
3-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119206835

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide (CID 55650229) is N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)c2ccn(-c3ccccc3F)n2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is FSFMEVKMLYZTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-15-12-16(2)14-17(13-15)27-11-10-24(3)21(26)19-8-9-25(23-19)20-7-5-4-6-18(20)22/h4-9,12-14H,10-11H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.78, 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-methylpyrazole-3-carboxamide is sourced from PubChem (CID 55650229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).