2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C14H13F2N3O3 — CID 136549867

IUPAC2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)Cc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C14H13F2N3O3/c1-7-13(8(2)19-18-7)17-12(20)6-9-3-4-10-11(5-9)22-14(15,16)21-10/h3-5H,6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHRMBMKAVYWXNSB-UHFFFAOYSA-N
MW309.27 g/mol
LogP2.53
Rot. Bonds3

About 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 136549867) has the molecular formula C14H13F2N3O3 and a molecular weight of 309.27 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID136549867
Molecular FormulaC14H13F2N3O3
Molecular Weight309.27 g/mol
Exact Mass309.09
IUPAC Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)Cc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C14H13F2N3O3/c1-7-13(8(2)19-18-7)17-12(20)6-9-3-4-10-11(5-9)22-14(15,16)21-10/h3-5H,6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHRMBMKAVYWXNSB-UHFFFAOYSA-N
XLogP2.53
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 136549867) is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)Cc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is HRMBMKAVYWXNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3/c1-7-13(8(2)19-18-7)17-12(20)6-9-3-4-10-11(5-9)22-14(15,16)21-10/h3-5H,6H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 309.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 136549867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).