N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide

C19H17N3O3 — CID 71707580

IUPACN-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)n1
InChIInChI=1S/C19H17N3O3/c1-12-8-13(2)22(21-12)16-5-3-4-14(9-16)19(23)20-15-6-7-17-18(10-15)25-11-24-17/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyNZKAVTORZMSMKY-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.47
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide

N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 71707580) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID71707580
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)n1
InChIInChI=1S/C19H17N3O3/c1-12-8-13(2)22(21-12)16-5-3-4-14(9-16)19(23)20-15-6-7-17-18(10-15)25-11-24-17/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyNZKAVTORZMSMKY-UHFFFAOYSA-N
XLogP3.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 58656859
CID 58656859
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2588534
N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 135330794
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155910477
N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N-[2-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55949657
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160
N-(1,3-benzodioxol-5-yl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2540316
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide
CID 113114155

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide (CID 71707580) is N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is NZKAVTORZMSMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-8-13(2)22(21-12)16-5-3-4-14(9-16)19(23)20-15-6-7-17-18(10-15)25-11-24-17/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 335.36 g/mol, XLogP of 3.47, 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)-3-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 71707580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).