N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide

C14H15BrClN3O2 — CID 19295830

IUPACN-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCn1cc(Br)cn1
InChIInChI=1S/C14H15BrClN3O2/c15-11-8-18-19(9-11)7-1-6-17-14(20)10-21-13-4-2-12(16)3-5-13/h2-5,8-9H,1,6-7,10H2,(H,17,20)
InChIKeyWJCIPXKZDGWDER-UHFFFAOYSA-N
MW372.65 g/mol
LogP2.88
Rot. Bonds7

About N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide

N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 19295830) has the molecular formula C14H15BrClN3O2 and a molecular weight of 372.65 g/mol. Its IUPAC name is N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
PubChem CID19295830
Molecular FormulaC14H15BrClN3O2
Molecular Weight372.65 g/mol
Exact Mass371.00
IUPAC NameN-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCn1cc(Br)cn1
InChIInChI=1S/C14H15BrClN3O2/c15-11-8-18-19(9-11)7-1-6-17-14(20)10-21-13-4-2-12(16)3-5-13/h2-5,8-9H,1,6-7,10H2,(H,17,20)
InChIKeyWJCIPXKZDGWDER-UHFFFAOYSA-N
XLogP2.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283314
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19297661
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 35536833
2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide
CID 107322523
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide
CID 19331958
2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide
CID 62668489
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
4-[3-(4-bromopyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19561719
2-(4-chlorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789180
2-(4-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612
1-[3-(4-bromopyrazol-1-yl)propyl]-3-butylurea
CID 19334000

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide (CID 19295830) is N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NCCCn1cc(Br)cn1.
What is the InChIKey of N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is WJCIPXKZDGWDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O2/c15-11-8-18-19(9-11)7-1-6-17-14(20)10-21-13-4-2-12(16)3-5-13/h2-5,8-9H,1,6-7,10H2,(H,17,20).
What are the key properties of N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide?
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 372.65 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 19295830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).