5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one

C23H27N3O4S — CID 134339033

IUPAC5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(S(=O)(=O)CC4(CO)CC4)cc3C)cn2)ccc1=O
InChIInChI=1S/C23H27N3O4S/c1-3-10-25-14-19(4-7-22(25)28)26-13-18(12-24-26)21-6-5-20(11-17(21)2)31(29,30)16-23(15-27)8-9-23/h4-7,11-14,27H,3,8-10,15-16H2,1-2H3
InChIKeyAEWDZKYBIKCREV-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.97
Rot. Bonds8

About 5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one

5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 134339033) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID134339033
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(S(=O)(=O)CC4(CO)CC4)cc3C)cn2)ccc1=O
InChIInChI=1S/C23H27N3O4S/c1-3-10-25-14-19(4-7-22(25)28)26-13-18(12-24-26)21-6-5-20(11-17(21)2)31(29,30)16-23(15-27)8-9-23/h4-7,11-14,27H,3,8-10,15-16H2,1-2H3
InChIKeyAEWDZKYBIKCREV-UHFFFAOYSA-N
XLogP2.97
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339040
5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339053
5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 159612758
5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339051
5-[4-[2-[(1-methylcyclopropyl)methyl]pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-(2-methylpropyl)pyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;1-(2-methylpropyl)-5-[4-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]pyridin-2-one;5-[4-[2-(oxetan-3-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 158010339
3-methyl-4-(1-methylpyrazol-4-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]benzenesulfonamide
CID 171909178
5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 161173675
5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one
CID 43444230
3-[1-(4-chlorophenyl)pyrazol-4-yl]-4-methylbenzoic acid
CID 118409218
2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 169214219
1-butyl-6-[[1-(fluoromethyl)cyclopropyl]methylsulfonyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione
CID 147296050
2-butyl-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 142685613

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 134339033) is 5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3ccc(S(=O)(=O)CC4(CO)CC4)cc3C)cn2)ccc1=O.
What is the InChIKey of 5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is AEWDZKYBIKCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-3-10-25-14-19(4-7-22(25)28)26-13-18(12-24-26)21-6-5-20(11-17(21)2)31(29,30)16-23(15-27)8-9-23/h4-7,11-14,27H,3,8-10,15-16H2,1-2H3.
What are the key properties of 5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 441.55 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 134339033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).