2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide

C13H14N4O3 — CID 43695077

IUPAC2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2cccc3c2OCO3)cn1
InChIInChI=1S/C13H14N4O3/c14-12(18)7-17-6-10(5-16-17)15-4-9-2-1-3-11-13(9)20-8-19-11/h1-3,5-6,15H,4,7-8H2,(H2,14,18)
InChIKeyIEUINDAKWLNLJV-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.71
Rot. Bonds5

About 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide

2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide (PubChem CID 43695077) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide
PubChem CID43695077
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2cccc3c2OCO3)cn1
InChIInChI=1S/C13H14N4O3/c14-12(18)7-17-6-10(5-16-17)15-4-9-2-1-3-11-13(9)20-8-19-11/h1-3,5-6,15H,4,7-8H2,(H2,14,18)
InChIKeyIEUINDAKWLNLJV-UHFFFAOYSA-N
XLogP0.71
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695324
2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695202
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 112606480
4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide
CID 61212473
2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide
CID 63868237
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695144
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-methylpyrazol-4-amine
CID 43583958
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305
2-[4-[(1,3-benzodioxol-4-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830371
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide (CID 43695077) is 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NCc2cccc3c2OCO3)cn1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide?
The InChIKey is IEUINDAKWLNLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-12(18)7-17-6-10(5-16-17)15-4-9-2-1-3-11-13(9)20-8-19-11/h1-3,5-6,15H,4,7-8H2,(H2,14,18).
What are the key properties of 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide?
2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide has a molecular weight of 274.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43695077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).