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

C23H26N4O4S — CID 4893331

IUPAC3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)[nH]n2)c(O)c1
InChIInChI=1S/C23H26N4O4S/c1-15-5-10-19(22(28)12-15)20-13-21(26-25-20)23(29)24-17-6-8-18(9-7-17)32(30,31)27-11-3-4-16(2)14-27/h5-10,12-13,16,28H,3-4,11,14H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyGJZRRHCJSUWOPI-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.76
Rot. Bonds5

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

3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 4893331) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide
PubChem CID4893331
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)[nH]n2)c(O)c1
InChIInChI=1S/C23H26N4O4S/c1-15-5-10-19(22(28)12-15)20-13-21(26-25-20)23(29)24-17-6-8-18(9-7-17)32(30,31)27-11-3-4-16(2)14-27/h5-10,12-13,16,28H,3-4,11,14H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyGJZRRHCJSUWOPI-UHFFFAOYSA-N
XLogP3.76
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide (CID 4893331) is 3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)[nH]n2)c(O)c1.
What is the InChIKey of 3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GJZRRHCJSUWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-15-5-10-19(22(28)12-15)20-13-21(26-25-20)23(29)24-17-6-8-18(9-7-17)32(30,31)27-11-3-4-16(2)14-27/h5-10,12-13,16,28H,3-4,11,14H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of 3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide?
3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4893331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).