4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide

C13H16N4O2 — CID 63310936

IUPAC4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide
SMILESNC(=O)c1ccc(OCCCn2ccc(N)n2)cc1
InChIInChI=1S/C13H16N4O2/c14-12-6-8-17(16-12)7-1-9-19-11-4-2-10(3-5-11)13(15)18/h2-6,8H,1,7,9H2,(H2,14,16)(H2,15,18)
InChIKeyKTPFHJKDOQUCOX-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.03
Rot. Bonds6

About 4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide

4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide (PubChem CID 63310936) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide.

Molecular Properties

Compound Name4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide
PubChem CID63310936
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide
SMILESNC(=O)c1ccc(OCCCn2ccc(N)n2)cc1
InChIInChI=1S/C13H16N4O2/c14-12-6-8-17(16-12)7-1-9-19-11-4-2-10(3-5-11)13(15)18/h2-6,8H,1,7,9H2,(H2,14,16)(H2,15,18)
InChIKeyKTPFHJKDOQUCOX-UHFFFAOYSA-N
XLogP1.03
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.03
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide?
The IUPAC name of 4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide (CID 63310936) is 4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide.
What is the SMILES notation for 4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide?
The canonical SMILES for 4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide is NC(=O)c1ccc(OCCCn2ccc(N)n2)cc1.
What is the InChIKey of 4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide?
The InChIKey is KTPFHJKDOQUCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-12-6-8-17(16-12)7-1-9-19-11-4-2-10(3-5-11)13(15)18/h2-6,8H,1,7,9H2,(H2,14,16)(H2,15,18).
What are the key properties of 4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide?
4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide has a molecular weight of 260.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminopyrazol-1-yl)propoxy]benzamide is sourced from PubChem (CID 63310936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).