N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide

C14H16BrN3O2 — CID 116805188

IUPACN-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
SMILESCCCn1cc(OCC(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C14H16BrN3O2/c1-2-7-18-9-11(8-16-18)20-10-14(19)17-13-6-4-3-5-12(13)15/h3-6,8-9H,2,7,10H2,1H3,(H,17,19)
InChIKeyCFQLPFGVKYUHBW-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.07
Rot. Bonds6

About N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide

N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide (PubChem CID 116805188) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
PubChem CID116805188
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
SMILESCCCn1cc(OCC(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C14H16BrN3O2/c1-2-7-18-9-11(8-16-18)20-10-14(19)17-13-6-4-3-5-12(13)15/h3-6,8-9H,2,7,10H2,1H3,(H,17,19)
InChIKeyCFQLPFGVKYUHBW-UHFFFAOYSA-N
XLogP3.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804913
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399
N-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804964
N-(2-bromophenyl)-2-(4-propylphenoxy)acetamide
CID 19180395
N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 115753081
N-(2-bromophenyl)-2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781844
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40666712
5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63851160
N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide
CID 23410083
N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180400

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide?
The IUPAC name of N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide (CID 116805188) is N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide is CCCn1cc(OCC(=O)Nc2ccccc2Br)cn1.
What is the InChIKey of N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide?
The InChIKey is CFQLPFGVKYUHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-7-18-9-11(8-16-18)20-10-14(19)17-13-6-4-3-5-12(13)15/h3-6,8-9H,2,7,10H2,1H3,(H,17,19).
What are the key properties of N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide?
N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide has a molecular weight of 338.21 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide is sourced from PubChem (CID 116805188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).