3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide

C21H22N4O4S — CID 2026662

IUPAC3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C21H22N4O4S/c26-20-7-3-2-6-17(20)18-14-19(24-23-18)21(27)22-15-8-10-16(11-9-15)30(28,29)25-12-4-1-5-13-25/h2-3,6-11,14,26H,1,4-5,12-13H2,(H,22,27)(H,23,24)
InChIKeyVHYUALWDIXAVIZ-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.21
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide

3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 2026662) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID2026662
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C21H22N4O4S/c26-20-7-3-2-6-17(20)18-14-19(24-23-18)21(27)22-15-8-10-16(11-9-15)30(28,29)25-12-4-1-5-13-25/h2-3,6-11,14,26H,1,4-5,12-13H2,(H,22,27)(H,23,24)
InChIKeyVHYUALWDIXAVIZ-UHFFFAOYSA-N
XLogP3.21
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1836353
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CID 1851034
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CID 666155
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CID 667178
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CID 667273
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CID 1839501
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CID 1848765
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CID 1854674
CID 1854674

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide (CID 2026662) is 3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(-c2ccccc2O)n[nH]1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VHYUALWDIXAVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-20-7-3-2-6-17(20)18-14-19(24-23-18)21(27)22-15-8-10-16(11-9-15)30(28,29)25-12-4-1-5-13-25/h2-3,6-11,14,26H,1,4-5,12-13H2,(H,22,27)(H,23,24).
What are the key properties of 3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2026662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).