1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine

C16H18ClN5O3S — CID 162361021

IUPAC1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
SMILESCn1ncc(S(=O)(=O)N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)c1Cl
InChIInChI=1S/C16H18ClN5O3S/c1-21-16(17)15(10-18-21)26(23,24)22-6-4-11(5-7-22)12-9-13(20-19-12)14-3-2-8-25-14/h2-3,8-11H,4-7H2,1H3,(H,19,20)
InChIKeyCUDRSCVDIYYPPI-UHFFFAOYSA-N
MW395.87 g/mol
LogP2.62
Rot. Bonds4

About 1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine

1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine (PubChem CID 162361021) has the molecular formula C16H18ClN5O3S and a molecular weight of 395.87 g/mol. Its IUPAC name is 1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
PubChem CID162361021
Molecular FormulaC16H18ClN5O3S
Molecular Weight395.87 g/mol
Exact Mass395.08
IUPAC Name1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
SMILESCn1ncc(S(=O)(=O)N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)c1Cl
InChIInChI=1S/C16H18ClN5O3S/c1-21-16(17)15(10-18-21)26(23,24)22-6-4-11(5-7-22)12-9-13(20-19-12)14-3-2-8-25-14/h2-3,8-11H,4-7H2,1H3,(H,19,20)
InChIKeyCUDRSCVDIYYPPI-UHFFFAOYSA-N
XLogP2.62
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine (CID 162361021) is 1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine is Cn1ncc(S(=O)(=O)N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)c1Cl.
What is the InChIKey of 1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is CUDRSCVDIYYPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O3S/c1-21-16(17)15(10-18-21)26(23,24)22-6-4-11(5-7-22)12-9-13(20-19-12)14-3-2-8-25-14/h2-3,8-11H,4-7H2,1H3,(H,19,20).
What are the key properties of 1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 395.87 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 162361021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).