1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide

C13H16N4O2 — CID 64782555

IUPAC1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CCCOc2ccccc2N)c1
InChIInChI=1S/C13H16N4O2/c14-11-4-1-2-5-12(11)19-7-3-6-17-9-10(8-16-17)13(15)18/h1-2,4-5,8-9H,3,6-7,14H2,(H2,15,18)
InChIKeyJQZZBTLAXQCVGO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.03
Rot. Bonds6

About 1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide

1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide (PubChem CID 64782555) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide
PubChem CID64782555
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CCCOc2ccccc2N)c1
InChIInChI=1S/C13H16N4O2/c14-11-4-1-2-5-12(11)19-7-3-6-17-9-10(8-16-17)13(15)18/h1-2,4-5,8-9H,3,6-7,14H2,(H2,15,18)
InChIKeyJQZZBTLAXQCVGO-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'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide (CID 64782555) is 1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide is NC(=O)c1cnn(CCCOc2ccccc2N)c1.
What is the InChIKey of 1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide?
The InChIKey is JQZZBTLAXQCVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-11-4-1-2-5-12(11)19-7-3-6-17-9-10(8-16-17)13(15)18/h1-2,4-5,8-9H,3,6-7,14H2,(H2,15,18).
What are the key properties of 1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide?
1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide 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 1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64782555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).