(1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone

C18H23N3O3S — CID 90594212

IUPAC(1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CN(C(=O)c2cc(-c3ccccc3)nn2C)C1
InChIInChI=1S/C18H23N3O3S/c1-13(2)12-25(23,24)15-10-21(11-15)18(22)17-9-16(19-20(17)3)14-7-5-4-6-8-14/h4-9,13,15H,10-12H2,1-3H3
InChIKeyOVBODLSJVHBRDP-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.98
Rot. Bonds5

About (1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone

(1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone (PubChem CID 90594212) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
PubChem CID90594212
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CN(C(=O)c2cc(-c3ccccc3)nn2C)C1
InChIInChI=1S/C18H23N3O3S/c1-13(2)12-25(23,24)15-10-21(11-15)18(22)17-9-16(19-20(17)3)14-7-5-4-6-8-14/h4-9,13,15H,10-12H2,1-3H3
InChIKeyOVBODLSJVHBRDP-UHFFFAOYSA-N
XLogP1.98
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 166374697
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90590539
(2-methylphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 72718948
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 90584942
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017244
[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 154576707
(1-methyl-3-phenylpyrazol-5-yl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 99979577
[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 172882577
[3-(2-methylpropylsulfonyl)azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 90594114
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593569
(3-cyclohexylsulfonylazetidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 90593960
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 166616660

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
The IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone (CID 90594212) is (1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone.
What is the SMILES notation for (1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
The canonical SMILES for (1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone is CC(C)CS(=O)(=O)C1CN(C(=O)c2cc(-c3ccccc3)nn2C)C1.
What is the InChIKey of (1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
The InChIKey is OVBODLSJVHBRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13(2)12-25(23,24)15-10-21(11-15)18(22)17-9-16(19-20(17)3)14-7-5-4-6-8-14/h4-9,13,15H,10-12H2,1-3H3.
What are the key properties of (1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
(1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone has a molecular weight of 361.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenylpyrazol-5-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone is sourced from PubChem (CID 90594212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).