N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide

C13H15ClN4O2 — CID 115319643

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide
SMILESNc1cnn(CCNC(=O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C13H15ClN4O2/c14-10-2-1-3-12(6-10)20-9-13(19)16-4-5-18-8-11(15)7-17-18/h1-3,6-8H,4-5,9,15H2,(H,16,19)
InChIKeyVOVJCEXIJYMMER-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.31
Rot. Bonds6

About N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide (PubChem CID 115319643) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide
PubChem CID115319643
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide
SMILESNc1cnn(CCNC(=O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C13H15ClN4O2/c14-10-2-1-3-12(6-10)20-9-13(19)16-4-5-18-8-11(15)7-17-18/h1-3,6-8H,4-5,9,15H2,(H,16,19)
InChIKeyVOVJCEXIJYMMER-UHFFFAOYSA-N
XLogP1.31
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 61459957
1-[(3-chlorophenoxy)methyl]pyrazol-4-amine
CID 7017255
2-(4-chlorophenoxy)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283314
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121501
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 115319574
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
CID 82881102
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,6-difluorophenyl)acetamide
CID 115319698
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide (CID 115319643) is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide is Nc1cnn(CCNC(=O)COc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide?
The InChIKey is VOVJCEXIJYMMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c14-10-2-1-3-12(6-10)20-9-13(19)16-4-5-18-8-11(15)7-17-18/h1-3,6-8H,4-5,9,15H2,(H,16,19).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide has a molecular weight of 294.74 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 115319643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).