(4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C20H21N3O4S2 — CID 16566087

IUPAC(4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H21N3O4S2/c24-20(27-15-16-4-6-18(7-5-16)23-11-2-10-21-23)17-8-12-22(13-9-17)29(25,26)19-3-1-14-28-19/h1-7,10-11,14,17H,8-9,12-13,15H2
InChIKeyMTKZCNZFHLHHBN-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.08
Rot. Bonds6

About (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

(4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 16566087) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID16566087
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H21N3O4S2/c24-20(27-15-16-4-6-18(7-5-16)23-11-2-10-21-23)17-8-12-22(13-9-17)29(25,26)19-3-1-14-28-19/h1-7,10-11,14,17H,8-9,12-13,15H2
InChIKeyMTKZCNZFHLHHBN-UHFFFAOYSA-N
XLogP3.08
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-propan-2-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 7843819
(4-pyrazol-1-ylphenyl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 33075168
(3-cyanophenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 7843748
(4-pyrazol-1-ylphenyl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556702
(2-methyl-1,3-thiazol-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 8854188
(4-pyrazol-1-ylphenyl)methyl cyclohex-3-ene-1-carboxylate
CID 60607313
(4-pyrazol-1-ylphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46514071
(4-cyanophenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55425432
2-(4-methylphenoxy)ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 7843741
(4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 55396668
N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
CID 22205170
[2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 7843761

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 16566087) is (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is O=C(OCc1ccc(-n2cccn2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is MTKZCNZFHLHHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c24-20(27-15-16-4-6-18(7-5-16)23-11-2-10-21-23)17-8-12-22(13-9-17)29(25,26)19-3-1-14-28-19/h1-7,10-11,14,17H,8-9,12-13,15H2.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
(4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 431.54 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 16566087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).