N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide

C13H14Cl2N4O2 — CID 71969058

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4O2/c14-10-8-11(15)13(17-9-10)21-7-4-16-12(20)2-6-19-5-1-3-18-19/h1,3,5,8-9H,2,4,6-7H2,(H,16,20)
InChIKeyQLTDAHNTOVELCD-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.17
Rot. Bonds7

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 71969058) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide
PubChem CID71969058
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4O2/c14-10-8-11(15)13(17-9-10)21-7-4-16-12(20)2-6-19-5-1-3-18-19/h1,3,5,8-9H,2,4,6-7H2,(H,16,20)
InChIKeyQLTDAHNTOVELCD-UHFFFAOYSA-N
XLogP2.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
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 N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide (CID 71969058) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NCCOc1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is QLTDAHNTOVELCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c14-10-8-11(15)13(17-9-10)21-7-4-16-12(20)2-6-19-5-1-3-18-19/h1,3,5,8-9H,2,4,6-7H2,(H,16,20).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide?
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 329.19 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 71969058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).