[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C20H21N3O4S — CID 90590544

IUPAC[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C20H21N3O4S/c24-20(19-13-18(21-22-19)15-5-2-1-3-6-15)23-10-8-17(9-11-23)28(25,26)14-16-7-4-12-27-16/h1-7,12-13,17H,8-11,14H2,(H,21,22)
InChIKeyGRKJAZALWLVYMP-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.89
Rot. Bonds5

About [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 90590544) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID90590544
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C20H21N3O4S/c24-20(19-13-18(21-22-19)15-5-2-1-3-6-15)23-10-8-17(9-11-23)28(25,26)14-16-7-4-12-27-16/h1-7,12-13,17H,8-11,14H2,(H,21,22)
InChIKeyGRKJAZALWLVYMP-UHFFFAOYSA-N
XLogP2.89
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90590539
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515200
3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590552
(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515009
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 90590567
[(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 99873527
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90590425

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 90590544) is [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(S(=O)(=O)Cc2ccco2)CC1.
What is the InChIKey of [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is GRKJAZALWLVYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-20(19-13-18(21-22-19)15-5-2-1-3-6-15)23-10-8-17(9-11-23)28(25,26)14-16-7-4-12-27-16/h1-7,12-13,17H,8-11,14H2,(H,21,22).
What are the key properties of [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 399.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 90590544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).