2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide

C14H16BrN3O2 — CID 115621179

IUPAC2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)COc2cccc(Br)c2)n[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-2-4-11-8-13(18-17-11)16-14(19)9-20-12-6-3-5-10(15)7-12/h3,5-8H,2,4,9H2,1H3,(H2,16,17,18,19)
InChIKeyWQCOASNRYDUCEN-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.14
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide

2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115621179) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
PubChem CID115621179
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)COc2cccc(Br)c2)n[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-2-4-11-8-13(18-17-11)16-14(19)9-20-12-6-3-5-10(15)7-12/h3,5-8H,2,4,9H2,1H3,(H2,16,17,18,19)
InChIKeyWQCOASNRYDUCEN-UHFFFAOYSA-N
XLogP3.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 104616215
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691197
2-(3-bromophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104817589
2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698938
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
CID 19171423
2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 7638236
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-(3-bromophenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7924008

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (CID 115621179) is 2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is CCCc1cc(NC(=O)COc2cccc(Br)c2)n[nH]1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is WQCOASNRYDUCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-4-11-8-13(18-17-11)16-14(19)9-20-12-6-3-5-10(15)7-12/h3,5-8H,2,4,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 338.21 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115621179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).