3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide

C22H24N4O4S — CID 4891910

IUPAC3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4O)n[nH]3)cc2)C1
InChIInChI=1S/C22H24N4O4S/c1-15-5-4-12-26(14-15)31(29,30)17-10-8-16(9-11-17)23-22(28)20-13-19(24-25-20)18-6-2-3-7-21(18)27/h2-3,6-11,13,15,27H,4-5,12,14H2,1H3,(H,23,28)(H,24,25)
InChIKeyTVOQBMPUFOXILH-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.46
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide

3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 4891910) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide
PubChem CID4891910
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4O)n[nH]3)cc2)C1
InChIInChI=1S/C22H24N4O4S/c1-15-5-4-12-26(14-15)31(29,30)17-10-8-16(9-11-17)23-22(28)20-13-19(24-25-20)18-6-2-3-7-21(18)27/h2-3,6-11,13,15,27H,4-5,12,14H2,1H3,(H,23,28)(H,24,25)
InChIKeyTVOQBMPUFOXILH-UHFFFAOYSA-N
XLogP3.46
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide (CID 4891910) is 3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4O)n[nH]3)cc2)C1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is TVOQBMPUFOXILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-5-4-12-26(14-15)31(29,30)17-10-8-16(9-11-17)23-22(28)20-13-19(24-25-20)18-6-2-3-7-21(18)27/h2-3,6-11,13,15,27H,4-5,12,14H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 3.46, 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-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4891910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).