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

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Related Compounds

5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 158402934
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide
CID 121410239
5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 159810100
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 146762671
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 153252608
5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 149337308
5-amino-3-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide
CID 86701915
3-[(4-hydroxyphenyl)methylamino]-5-(4-pyrazol-1-ylanilino)-1H-pyrazole-4-carboxamide
CID 71765636
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide
CID 106192567
3-[(4-hydroxyphenyl)methylamino]-5-[4-[(2-methylbenzoyl)amino]anilino]-1H-pyrazole-4-carboxamide
CID 145112264
3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 121432052
4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
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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).