3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide

C21H21F2N5O3 — CID 67057650

IUPAC3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide
SMILESCc1cc(-n2nc(Nc3ccc4c(c3)OC(F)(F)O4)cc2CCC(=O)N(C)C)ccn1
InChIInChI=1S/C21H21F2N5O3/c1-13-10-16(8-9-24-13)28-15(5-7-20(29)27(2)3)12-19(26-28)25-14-4-6-17-18(11-14)31-21(22,23)30-17/h4,6,8-12H,5,7H2,1-3H3,(H,25,26)
InChIKeyVWWSQJBNHRCYPC-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.66
Rot. Bonds6

About 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide

3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide (PubChem CID 67057650) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol. Its IUPAC name is 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide
PubChem CID67057650
Molecular FormulaC21H21F2N5O3
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC Name3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide
SMILESCc1cc(-n2nc(Nc3ccc4c(c3)OC(F)(F)O4)cc2CCC(=O)N(C)C)ccn1
InChIInChI=1S/C21H21F2N5O3/c1-13-10-16(8-9-24-13)28-15(5-7-20(29)27(2)3)12-19(26-28)25-14-4-6-17-18(11-14)31-21(22,23)30-17/h4,6,8-12H,5,7H2,1-3H3,(H,25,26)
InChIKeyVWWSQJBNHRCYPC-UHFFFAOYSA-N
XLogP3.66
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide 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 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide (CID 67057650) is 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide is Cc1cc(-n2nc(Nc3ccc4c(c3)OC(F)(F)O4)cc2CCC(=O)N(C)C)ccn1.
What is the InChIKey of 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide?
The InChIKey is VWWSQJBNHRCYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c1-13-10-16(8-9-24-13)28-15(5-7-20(29)27(2)3)12-19(26-28)25-14-4-6-17-18(11-14)31-21(22,23)30-17/h4,6,8-12H,5,7H2,1-3H3,(H,25,26).
What are the key properties of 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide?
3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide has a molecular weight of 429.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 67057650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).