N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide

C14H15N3O3 — CID 24790951

IUPACN-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H15N3O3/c1-10-4-6-17(16-10)7-5-14(18)15-11-2-3-12-13(8-11)20-9-19-12/h2-4,6,8H,5,7,9H2,1H3,(H,15,18)
InChIKeyWESNUUBMXKREHX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.95
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide

N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 24790951) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID24790951
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H15N3O3/c1-10-4-6-17(16-10)7-5-14(18)15-11-2-3-12-13(8-11)20-9-19-12/h2-4,6,8H,5,7,9H2,1H3,(H,15,18)
InChIKeyWESNUUBMXKREHX-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide (CID 24790951) is N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is WESNUUBMXKREHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-4-6-17(16-10)7-5-14(18)15-11-2-3-12-13(8-11)20-9-19-12/h2-4,6,8H,5,7,9H2,1H3,(H,15,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 273.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 24790951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).