N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide

C14H15N3O3 — CID 24790929

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H15N3O3/c18-14(4-7-17-6-1-5-15-17)16-11-2-3-12-13(10-11)20-9-8-19-12/h1-3,5-6,10H,4,7-9H2,(H,16,18)
InChIKeyVUVIJWBZNFAVNG-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.68
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide (PubChem CID 24790929) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide
PubChem CID24790929
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H15N3O3/c18-14(4-7-17-6-1-5-15-17)16-11-2-3-12-13(10-11)20-9-8-19-12/h1-3,5-6,10H,4,7-9H2,(H,16,18)
InChIKeyVUVIJWBZNFAVNG-UHFFFAOYSA-N
XLogP1.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide (CID 24790929) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide?
The InChIKey is VUVIJWBZNFAVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-14(4-7-17-6-1-5-15-17)16-11-2-3-12-13(10-11)20-9-8-19-12/h1-3,5-6,10H,4,7-9H2,(H,16,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide has a molecular weight of 273.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 24790929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).