N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C18H17N5O3 — CID 2370782

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H17N5O3/c1-10-6-11(2)20-18(19-10)23-16(7-12(3)22-23)21-17(24)13-4-5-14-15(8-13)26-9-25-14/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyRJPHUMRHWUDEAO-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.57
Rot. Bonds3

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 2370782) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID2370782
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H17N5O3/c1-10-6-11(2)20-18(19-10)23-16(7-12(3)22-23)21-17(24)13-4-5-14-15(8-13)26-9-25-14/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyRJPHUMRHWUDEAO-UHFFFAOYSA-N
XLogP2.57
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide 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

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55378083
N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3,4-difluorobenzamide
CID 25282236
4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 55487829
N-[2-[1-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 135881032
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 27542907
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
CID 2395513
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 55377924
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 53047921
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 45283580
N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 71707580
N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 959481

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 2370782) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is RJPHUMRHWUDEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-10-6-11(2)20-18(19-10)23-16(7-12(3)22-23)21-17(24)13-4-5-14-15(8-13)26-9-25-14/h4-8H,9H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2370782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).