3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide

C22H28N6O — CID 53069666

IUPAC3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)c1
InChIInChI=1S/C22H28N6O/c1-14-9-15(2)11-18(10-14)25-22(29)8-7-19-16(3)26-28(17(19)4)21-12-20(27(5)6)23-13-24-21/h9-13H,7-8H2,1-6H3,(H,25,29)
InChIKeyKBQVXBPTRGETCE-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.53
Rot. Bonds6

About 3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide

3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 53069666) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
PubChem CID53069666
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)c1
InChIInChI=1S/C22H28N6O/c1-14-9-15(2)11-18(10-14)25-22(29)8-7-19-16(3)26-28(17(19)4)21-12-20(27(5)6)23-13-24-21/h9-13H,7-8H2,1-6H3,(H,25,29)
InChIKeyKBQVXBPTRGETCE-UHFFFAOYSA-N
XLogP3.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53069687
N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53006375
N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53069636
3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 53009115
N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
CID 53009094
N-(4-bromophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069539
3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 53069654
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 53069490
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 53069430
N-(2,4-dimethylphenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069503
N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069471
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 31405262

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide (CID 53069666) is 3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)c1.
What is the InChIKey of 3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is KBQVXBPTRGETCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-14-9-15(2)11-18(10-14)25-22(29)8-7-19-16(3)26-28(17(19)4)21-12-20(27(5)6)23-13-24-21/h9-13H,7-8H2,1-6H3,(H,25,29).
What are the key properties of 3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide?
3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 392.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 53069666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).