N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C25H20N4O4S2 — CID 59463416

IUPACN-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cscc1S(=O)(=O)c1ccccc1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C25H20N4O4S2/c30-23-11-5-4-10-19(23)22-13-20(17-7-6-12-26-14-17)28-29(22)25(31)27-21-15-34-16-24(21)35(32,33)18-8-2-1-3-9-18/h1-12,14-16,22,30H,13H2,(H,27,31)
InChIKeyBULDOYTUTLNLON-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.06
Rot. Bonds5

About N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 59463416) has the molecular formula C25H20N4O4S2 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID59463416
Molecular FormulaC25H20N4O4S2
Molecular Weight504.59 g/mol
Exact Mass504.09
IUPAC NameN-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cscc1S(=O)(=O)c1ccccc1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C25H20N4O4S2/c30-23-11-5-4-10-19(23)22-13-20(17-7-6-12-26-14-17)28-29(22)25(31)27-21-15-34-16-24(21)35(32,33)18-8-2-1-3-9-18/h1-12,14-16,22,30H,13H2,(H,27,31)
InChIKeyBULDOYTUTLNLON-UHFFFAOYSA-N
XLogP5.06
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 59463416) is N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1cscc1S(=O)(=O)c1ccccc1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is BULDOYTUTLNLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4S2/c30-23-11-5-4-10-19(23)22-13-20(17-7-6-12-26-14-17)28-29(22)25(31)27-21-15-34-16-24(21)35(32,33)18-8-2-1-3-9-18/h1-12,14-16,22,30H,13H2,(H,27,31).
What are the key properties of N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)thiophen-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 59463416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).