N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C18H17N3O3 — CID 46487660

IUPACN-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)CC1
InChIInChI=1S/C18H17N3O3/c1-12-8-9-21(20-12)15-5-2-13(3-6-15)18(22)19-14-4-7-16-17(10-14)24-11-23-16/h2-7,10H,8-9,11H2,1H3,(H,19,22)
InChIKeyTZGBPOKQSMFSHM-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.25
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 46487660) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID46487660
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)CC1
InChIInChI=1S/C18H17N3O3/c1-12-8-9-21(20-12)15-5-2-13(3-6-15)18(22)19-14-4-7-16-17(10-14)24-11-23-16/h2-7,10H,8-9,11H2,1H3,(H,19,22)
InChIKeyTZGBPOKQSMFSHM-UHFFFAOYSA-N
XLogP3.25
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55699318
1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050216
N-(1,3-benzodioxol-5-yl)-4-(1,2,4-triazol-1-yl)benzamide
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N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide
CID 51089713
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
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CID 112759099
N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
CID 20630879
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 46487660) is N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is TZGBPOKQSMFSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-8-9-21(20-12)15-5-2-13(3-6-15)18(22)19-14-4-7-16-17(10-14)24-11-23-16/h2-7,10H,8-9,11H2,1H3,(H,19,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 323.35 g/mol, XLogP of 3.25, 3 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)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 46487660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).