3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide

C18H19N5O4S — CID 159619556

IUPAC3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19N5O4S/c19-17(25)16-15(9-11-3-7-14(8-4-11)28(20,26)27)22-23-18(16)21-10-12-1-5-13(24)6-2-12/h1-8,24H,9-10H2,(H2,19,25)(H2,20,26,27)(H2,21,22,23)
InChIKeyMNSHZOMZROSEMK-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.06
Rot. Bonds7

About 3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide

3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 159619556) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID159619556
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19N5O4S/c19-17(25)16-15(9-11-3-7-14(8-4-11)28(20,26)27)22-23-18(16)21-10-12-1-5-13(24)6-2-12/h1-8,24H,9-10H2,(H2,19,25)(H2,20,26,27)(H2,21,22,23)
InChIKeyMNSHZOMZROSEMK-UHFFFAOYSA-N
XLogP1.06
TPSA164.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-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-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 159619556) is 3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MNSHZOMZROSEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c19-17(25)16-15(9-11-3-7-14(8-4-11)28(20,26)27)22-23-18(16)21-10-12-1-5-13(24)6-2-12/h1-8,24H,9-10H2,(H2,19,25)(H2,20,26,27)(H2,21,22,23).
What are the key properties of 3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 1.06, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 159619556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).