N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide

C14H14ClN3O3 — CID 5301172

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(C)c1Cl
InChIInChI=1S/C14H14ClN3O3/c1-8-14(15)9(2)18(17-8)6-13(19)16-10-3-4-11-12(5-10)21-7-20-11/h3-5H,6-7H2,1-2H3,(H,16,19)
InChIKeyIOZXLYHHOZBPPQ-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.52
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 5301172) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID5301172
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(C)c1Cl
InChIInChI=1S/C14H14ClN3O3/c1-8-14(15)9(2)18(17-8)6-13(19)16-10-3-4-11-12(5-10)21-7-20-11/h3-5H,6-7H2,1-2H3,(H,16,19)
InChIKeyIOZXLYHHOZBPPQ-UHFFFAOYSA-N
XLogP2.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide (CID 5301172) is N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(C)c1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is IOZXLYHHOZBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-8-14(15)9(2)18(17-8)6-13(19)16-10-3-4-11-12(5-10)21-7-20-11/h3-5H,6-7H2,1-2H3,(H,16,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 307.74 g/mol, XLogP of 2.52, 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)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 5301172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).