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

C18H24FN3O2 — CID 86930037

IUPAC2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1nn(C)c(C)c1CCNC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C18H24FN3O2/c1-12-16(13(2)22(5)21-12)10-11-20-17(23)18(3,4)24-15-8-6-14(19)7-9-15/h6-9H,10-11H2,1-5H3,(H,20,23)
InChIKeyRZCRINFRMFATFB-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.69
Rot. Bonds6

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

2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide (PubChem CID 86930037) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
PubChem CID86930037
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1nn(C)c(C)c1CCNC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C18H24FN3O2/c1-12-16(13(2)22(5)21-12)10-11-20-17(23)18(3,4)24-15-8-6-14(19)7-9-15/h6-9H,10-11H2,1-5H3,(H,20,23)
InChIKeyRZCRINFRMFATFB-UHFFFAOYSA-N
XLogP2.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110446439
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 97263438
1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53029159
2-[[4-(trifluoromethoxy)phenyl]methyl]-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111599144
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-fluorophenoxy)-2-methylpropanoate
CID 8935435
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55713823
2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 78872000
benzyl N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamate
CID 110717257
2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
CID 111483880

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide (CID 86930037) is 2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide is Cc1nn(C)c(C)c1CCNC(=O)C(C)(C)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is RZCRINFRMFATFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-12-16(13(2)22(5)21-12)10-11-20-17(23)18(3,4)24-15-8-6-14(19)7-9-15/h6-9H,10-11H2,1-5H3,(H,20,23).
What are the key properties of 2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 333.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 86930037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).