2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide

C19H17N3O3 — CID 136579374

IUPAC2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
SMILESC1OC2=C(O1)C=C(C=C2)CC(=O)NCC3=CC=CC=C3N4C=CC=N4
InChIInChI=1S/C19H17N3O3/c23-19(11-14-6-7-17-18(10-14)25-13-24-17)20-12-15-4-1-2-5-16(15)22-9-3-8-21-22/h1-10H,11-13H2,(H,20,23)
InChIKeyARLXXKJXVMIOTB-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.40
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 136579374) has the molecular formula C19H17N3O3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID136579374
Molecular FormulaC19H17N3O3
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
SMILESC1OC2=C(O1)C=C(C=C2)CC(=O)NCC3=CC=CC=C3N4C=CC=N4
InChIInChI=1S/C19H17N3O3/c23-19(11-14-6-7-17-18(10-14)25-13-24-17)20-12-15-4-1-2-5-16(15)22-9-3-8-21-22/h1-10H,11-13H2,(H,20,23)
InChIKeyARLXXKJXVMIOTB-UHFFFAOYSA-N
XLogP2.40
TPSA65.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity461

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzo[1,3]dioxole-5-carboxylic acid [2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-amide
CID 6499837
2-(3,4-dimethoxyphenyl)-N-[4-(1H-pyrrol-1-yl)benzyl]acetamide
CID 5300696
2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 141484719
2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide
CID 141484722
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 141484724
N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 141484732
2-(3,4-dimethoxyphenyl)-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide
CID 141484733
(E)-1-(1,3-benzodioxol-5-yl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-en-1-one
CID 9028090
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,4-dimethoxybenzamide
CID 24791056
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3,4-dimethoxybenzamide
CID 24817083
1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 24817823
5-[1-(1,3-benzodioxol-5-ylmethyl)pyrazol-3-yl]-N-hydroxypentanamide
CID 72195593

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide (CID 136579374) is 2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide is C1OC2=C(O1)C=C(C=C2)CC(=O)NCC3=CC=CC=C3N4C=CC=N4.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is ARLXXKJXVMIOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19(11-14-6-7-17-18(10-14)25-13-24-17)20-12-15-4-1-2-5-16(15)22-9-3-8-21-22/h1-10H,11-13H2,(H,20,23).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 136579374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).