N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide

C14H18N4O2 — CID 63311110

IUPACN-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCCn1ccc(N)n1
InChIInChI=1S/C14H18N4O2/c1-11(19)16-12-5-2-3-6-13(12)20-10-4-8-18-9-7-14(15)17-18/h2-3,5-7,9H,4,8,10H2,1H3,(H2,15,17)(H,16,19)
InChIKeyQTPWPUDPYZYEHY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.89
Rot. Bonds6

About N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide

N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide (PubChem CID 63311110) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide
PubChem CID63311110
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCCn1ccc(N)n1
InChIInChI=1S/C14H18N4O2/c1-11(19)16-12-5-2-3-6-13(12)20-10-4-8-18-9-7-14(15)17-18/h2-3,5-7,9H,4,8,10H2,1H3,(H2,15,17)(H,16,19)
InChIKeyQTPWPUDPYZYEHY-UHFFFAOYSA-N
XLogP1.89
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
1-[3-(2-bromophenoxy)propyl]pyrazol-3-amine
CID 63311464
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
N-[4-[3-(3-aminopyrazol-1-yl)propylsulfanyl]phenyl]acetamide
CID 63310941
N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide
CID 63576193
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide
CID 63310936
methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate
CID 62100724
N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
CID 13128525
N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide
CID 43174395

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide?
The IUPAC name of N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide (CID 63311110) is N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCCCn1ccc(N)n1.
What is the InChIKey of N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide?
The InChIKey is QTPWPUDPYZYEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(19)16-12-5-2-3-6-13(12)20-10-4-8-18-9-7-14(15)17-18/h2-3,5-7,9H,4,8,10H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide?
N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide is sourced from PubChem (CID 63311110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).