N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C19H17N3O3 — CID 2582461

IUPACN-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)n1
InChIInChI=1S/C19H17N3O3/c1-12-9-13(2)22(21-12)16-6-3-14(4-7-16)19(23)20-15-5-8-17-18(10-15)25-11-24-17/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyWWBPFSLXGZFICJ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.47
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 2582461) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID2582461
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)n1
InChIInChI=1S/C19H17N3O3/c1-12-9-13(2)22(21-12)16-6-3-14(4-7-16)19(23)20-15-5-8-17-18(10-15)25-11-24-17/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyWWBPFSLXGZFICJ-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

N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2999035
N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-3-pyrazolecarboxamide
CID 5308605
3-[(4-Amino-benzoyl)-hydrazono]-N-benzo[1,3]dioxol-5-yl-butyramide
CID 9638781
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)acetamide
CID 16022716
tert-butyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
CID 16023942
tert-butyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}piperidine-1-carboxylate
CID 16028905
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5214851
N-(3,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2119550
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide
CID 2353955
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 2531984
N-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2597119
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4803157

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 2582461) is N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is WWBPFSLXGZFICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-9-13(2)22(21-12)16-6-3-14(4-7-16)19(23)20-15-5-8-17-18(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)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(1,3-benzodioxol-5-yl)-4-(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)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 2582461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).