3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

C24H27F3N6O — CID 53069462

IUPAC3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H27F3N6O/c1-16-18(10-11-23(34)30-20-9-5-4-8-19(20)24(25,26)27)17(2)33(31-16)22-14-21(28-15-29-22)32-12-6-3-7-13-32/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3,(H,30,34)
InChIKeyVRONJJPCCVAYHD-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.86
Rot. Bonds6

About 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 53069462) has the molecular formula C24H27F3N6O and a molecular weight of 472.52 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID53069462
Molecular FormulaC24H27F3N6O
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Name3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H27F3N6O/c1-16-18(10-11-23(34)30-20-9-5-4-8-19(20)24(25,26)27)17(2)33(31-16)22-14-21(28-15-29-22)32-12-6-3-7-13-32/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3,(H,30,34)
InChIKeyVRONJJPCCVAYHD-UHFFFAOYSA-N
XLogP4.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069471
N-(2,4-dimethylphenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069503
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-(2-phenylethyl)propanamide
CID 53069421
N-(4-bromophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069539
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 53069430
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53069547
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 53069405
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propan-1-one
CID 53069406
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069402
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
CID 20946907
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
CID 95068834

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 53069462) is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VRONJJPCCVAYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O/c1-16-18(10-11-23(34)30-20-9-5-4-8-19(20)24(25,26)27)17(2)33(31-16)22-14-21(28-15-29-22)32-12-6-3-7-13-32/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3,(H,30,34).
What are the key properties of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 472.52 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 53069462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).