N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide

C19H21N5O — CID 2395513

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1
InChIInChI=1S/C19H21N5O/c1-11-6-7-12(2)16(8-11)18(25)22-17-10-15(5)23-24(17)19-20-13(3)9-14(4)21-19/h6-10H,1-5H3,(H,22,25)
InChIKeyPDXJFYKOTQYVHZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.46
Rot. Bonds3

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

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide (PubChem CID 2395513) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
PubChem CID2395513
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1
InChIInChI=1S/C19H21N5O/c1-11-6-7-12(2)16(8-11)18(25)22-17-10-15(5)23-24(17)19-20-13(3)9-14(4)21-19/h6-10H,1-5H3,(H,22,25)
InChIKeyPDXJFYKOTQYVHZ-UHFFFAOYSA-N
XLogP3.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 2370782
4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 55487829
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
CID 2359697
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide
CID 75519227
N-(2,5-dimethylpyrazol-3-yl)-5-methyl-2-(methylamino)benzamide
CID 55083084
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-(3-methylphenyl)pyrazol-3-amine
CID 71489000
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78825412
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78821432

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide (CID 2395513) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide?
The InChIKey is PDXJFYKOTQYVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-11-6-7-12(2)16(8-11)18(25)22-17-10-15(5)23-24(17)19-20-13(3)9-14(4)21-19/h6-10H,1-5H3,(H,22,25).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 2395513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).