5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one

C22H27N5O — CID 66504278

IUPAC5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one
SMILESCc1cccc(-n2[nH]c(-c3cnc(N4CC(C)CC(C)C4)nc3C)cc2=O)c1
InChIInChI=1S/C22H27N5O/c1-14-6-5-7-18(9-14)27-21(28)10-20(25-27)19-11-23-22(24-17(19)4)26-12-15(2)8-16(3)13-26/h5-7,9-11,15-16,25H,8,12-13H2,1-4H3
InChIKeyNYYOWOZVPNPKMS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.72
Rot. Bonds3

About 5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one

5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one (PubChem CID 66504278) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one
PubChem CID66504278
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one
SMILESCc1cccc(-n2[nH]c(-c3cnc(N4CC(C)CC(C)C4)nc3C)cc2=O)c1
InChIInChI=1S/C22H27N5O/c1-14-6-5-7-18(9-14)27-21(28)10-20(25-27)19-11-23-22(24-17(19)4)26-12-15(2)8-16(3)13-26/h5-7,9-11,15-16,25H,8,12-13H2,1-4H3
InChIKeyNYYOWOZVPNPKMS-UHFFFAOYSA-N
XLogP3.72
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-one
CID 66504326
2-(1,3-benzoxazol-2-yl)-5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504226
5-[4-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenyl-1H-pyrazol-3-one
CID 66504379
2-(3,5-difluorophenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504404
2-(4,6-dimethylpyrimidin-2-yl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504353
2-(4-chlorophenyl)-5-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504213
5-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-one
CID 66504431
2-(4-chloro-2-fluorophenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504416
2-(1H-benzimidazol-2-yl)-5-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504229
2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504378
N-cyclopropyl-5-methyl-1-(3-methylphenyl)piperidin-3-amine
CID 83991728
(7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 99721337

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one (CID 66504278) is 5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one is Cc1cccc(-n2[nH]c(-c3cnc(N4CC(C)CC(C)C4)nc3C)cc2=O)c1.
What is the InChIKey of 5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one?
The InChIKey is NYYOWOZVPNPKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-6-5-7-18(9-14)27-21(28)10-20(25-27)19-11-23-22(24-17(19)4)26-12-15(2)8-16(3)13-26/h5-7,9-11,15-16,25H,8,12-13H2,1-4H3.
What are the key properties of 5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one?
5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one has a molecular weight of 377.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-2-(3-methylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66504278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).