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

C25H25N5O — CID 2359697

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H25N5O/c1-17-14-18(2)27-25(26-17)30-23(15-19(3)29-30)28-24(31)16-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,22H,16H2,1-3H3,(H,28,31)
InChIKeyGVFAQBIBYGRSNQ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.75
Rot. Bonds6

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

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide (PubChem CID 2359697) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
PubChem CID2359697
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H25N5O/c1-17-14-18(2)27-25(26-17)30-23(15-19(3)29-30)28-24(31)16-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,22H,16H2,1-3H3,(H,28,31)
InChIKeyGVFAQBIBYGRSNQ-UHFFFAOYSA-N
XLogP4.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.75
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-[[(1R)-1-phenylethyl]amino]acetamide
CID 2334617
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide
CID 135752975
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide
CID 78826272
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800974
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78825412
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
CID 112801450
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112774888
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78821432
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-nitrophenoxy)acetamide
CID 17416315
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934627
methyl (2R)-2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]amino]-3,3-dimethylbutanoate
CID 96536664

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide (CID 2359697) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
The InChIKey is GVFAQBIBYGRSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-17-14-18(2)27-25(26-17)30-23(15-19(3)29-30)28-24(31)16-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,22H,16H2,1-3H3,(H,28,31).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide has a molecular weight of 411.51 g/mol, XLogP of 4.75, 6 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]-3,3-diphenylpropanamide is sourced from PubChem (CID 2359697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).