2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide

C15H18FN3O2 — CID 134026082

IUPAC2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
SMILESCC(C)Cn1nccc1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2/c1-11(2)9-19-14(7-8-17-19)18-15(20)10-21-13-5-3-12(16)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyKEMVTYWSQWXYMQ-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.70
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide

2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide (PubChem CID 134026082) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
PubChem CID134026082
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
SMILESCC(C)Cn1nccc1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2/c1-11(2)9-19-14(7-8-17-19)18-15(20)10-21-13-5-3-12(16)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyKEMVTYWSQWXYMQ-UHFFFAOYSA-N
XLogP2.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975
2-(2-methoxyphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026099
4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35327495
2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 35325113
2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide
CID 134014290
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35767629
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063488

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide (CID 134026082) is 2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide is CC(C)Cn1nccc1NC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
The InChIKey is KEMVTYWSQWXYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-11(2)9-19-14(7-8-17-19)18-15(20)10-21-13-5-3-12(16)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 134026082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).