1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one

C18H25N3O — CID 743351

IUPAC1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one
SMILESCc1c(CN2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H25N3O/c1-14-9-7-8-12-20(14)13-17-15(2)19(3)21(18(17)22)16-10-5-4-6-11-16/h4-6,10-11,14H,7-9,12-13H2,1-3H3/t14-/m1/s1
InChIKeyUBOCNBKJCORLRE-CQSZACIVSA-N
MW299.42 g/mol
LogP2.86
Rot. Bonds3

About 1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one

1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one (PubChem CID 743351) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one
PubChem CID743351
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one
SMILESCc1c(CN2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H25N3O/c1-14-9-7-8-12-20(14)13-17-15(2)19(3)21(18(17)22)16-10-5-4-6-11-16/h4-6,10-11,14H,7-9,12-13H2,1-3H3/t14-/m1/s1
InChIKeyUBOCNBKJCORLRE-CQSZACIVSA-N
XLogP2.86
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-2-phenylpyrazol-3-one
CID 74243894
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CID 50963780
4-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 28871487
4-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 95725370
(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
CID 870764
4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 42311444
4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
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CID 119110847
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2108028
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 25358875
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 42910837
1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one
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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one (CID 743351) is 1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one is Cc1c(CN2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one?
The InChIKey is UBOCNBKJCORLRE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-9-7-8-12-20(14)13-17-15(2)19(3)21(18(17)22)16-10-5-4-6-11-16/h4-6,10-11,14H,7-9,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one?
1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one has a molecular weight of 299.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one is sourced from PubChem (CID 743351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).