3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide

C15H17N3O3 — CID 115594806

IUPAC3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
SMILESCc1[nH]nc(NC(=O)CCc2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C15H17N3O3/c1-9-10(2)17-18-15(9)16-14(19)6-4-11-3-5-12-13(7-11)21-8-20-12/h3,5,7H,4,6,8H2,1-2H3,(H2,16,17,18,19)
InChIKeySUHLZXWRDIPVAB-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.33
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide (PubChem CID 115594806) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
PubChem CID115594806
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
SMILESCc1[nH]nc(NC(=O)CCc2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C15H17N3O3/c1-9-10(2)17-18-15(9)16-14(19)6-4-11-3-5-12-13(7-11)21-8-20-12/h3,5,7H,4,6,8H2,1-2H3,(H2,16,17,18,19)
InChIKeySUHLZXWRDIPVAB-UHFFFAOYSA-N
XLogP2.33
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186764
3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide
CID 107300178
methyl 3-(1,3-benzodioxol-5-yl)propanoate
CID 10081775
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804
3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60930540
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16574669
3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide
CID 16574686
3-(1,3-benzodioxol-5-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
CID 136665369

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide (CID 115594806) is 3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide is Cc1[nH]nc(NC(=O)CCc2ccc3c(c2)OCO3)c1C.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is SUHLZXWRDIPVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-10(2)17-18-15(9)16-14(19)6-4-11-3-5-12-13(7-11)21-8-20-12/h3,5,7H,4,6,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 287.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 115594806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).