N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide

C21H22FN3O2 — CID 134013923

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CCOc1ccccc1F
InChIInChI=1S/C21H22FN3O2/c1-15-18(16(2)25(24-15)17-8-4-3-5-9-17)14-23-21(26)12-13-27-20-11-7-6-10-19(20)22/h3-11H,12-14H2,1-2H3,(H,23,26)
InChIKeyKQFQGWVGGOREOF-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.71
Rot. Bonds7

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide (PubChem CID 134013923) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
PubChem CID134013923
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CCOc1ccccc1F
InChIInChI=1S/C21H22FN3O2/c1-15-18(16(2)25(24-15)17-8-4-3-5-9-17)14-23-21(26)12-13-27-20-11-7-6-10-19(20)22/h3-11H,12-14H2,1-2H3,(H,23,26)
InChIKeyKQFQGWVGGOREOF-UHFFFAOYSA-N
XLogP3.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
CID 46653199
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495027
3-[(2,4-difluorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 19282537
N-[2-(2-fluorophenoxy)ethyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
CID 46656087
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60547300
N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042766
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8531492
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277385

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide (CID 134013923) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCOc1ccccc1F.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide?
The InChIKey is KQFQGWVGGOREOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-15-18(16(2)25(24-15)17-8-4-3-5-9-17)14-23-21(26)12-13-27-20-11-7-6-10-19(20)22/h3-11H,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide has a molecular weight of 367.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 134013923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).