5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide

C26H25N5O4 — CID 147041846

IUPAC5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Cc1ccc(NC(=O)c2ccc(CO)cc2)cc1
InChIInChI=1S/C26H25N5O4/c27-24(34)23-22(30-31-25(23)28-14-17-5-11-21(33)12-6-17)13-16-3-9-20(10-4-16)29-26(35)19-7-1-18(15-32)2-8-19/h1-12,32-33H,13-15H2,(H2,27,34)(H,29,35)(H2,28,30,31)
InChIKeyAZPFKDOPPQCSBZ-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.16
Rot. Bonds9

About 5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 147041846) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID147041846
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Cc1ccc(NC(=O)c2ccc(CO)cc2)cc1
InChIInChI=1S/C26H25N5O4/c27-24(34)23-22(30-31-25(23)28-14-17-5-11-21(33)12-6-17)13-16-3-9-20(10-4-16)29-26(35)19-7-1-18(15-32)2-8-19/h1-12,32-33H,13-15H2,(H2,27,34)(H,29,35)(H2,28,30,31)
InChIKeyAZPFKDOPPQCSBZ-UHFFFAOYSA-N
XLogP3.16
TPSA153.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 53.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137652911
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 137650157
4-(dimethylamino)-N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137656023
N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 137225068
N-[4,5-bis(4-hydroxyphenyl)-1H-pyrazol-3-yl]-4-hydroxybenzamide
CID 137225069
5-[4-[(3-fluorobenzoyl)amino]anilino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 71765306
5-[4-[(4-fluorobenzoyl)amino]anilino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 89815938
3-[(4-hydroxyphenyl)methylamino]-5-[4-[[4-(trifluoromethyl)benzoyl]amino]anilino]-1H-pyrazole-4-carboxamide
CID 89903524
5-((4-hydroxy-3,5-dimethylbenzyl)amino)-3-((4-(4-(trifluoromethyl)benzamido)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 121410147
3-((4-(4-fluorobenzamido)phenyl)amino)-5-((4-hydroxy-3,5-dimethylbenzyl)amino)-1H-pyrazole-4-carboxamide
CID 121410225
N-[4-[[4-[amino(hydroxy)methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazol-5-yl]amino]phenyl]-4-fluorobenzamide
CID 126729088
3-[(3-ethyl-4-hydroxy-5-methylphenyl)methylamino]-5-[4-[(4-fluorobenzoyl)amino]anilino]-1H-pyrazole-4-carboxamide
CID 145112269

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 147041846) is 5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Cc1ccc(NC(=O)c2ccc(CO)cc2)cc1.
What is the InChIKey of 5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is AZPFKDOPPQCSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c27-24(34)23-22(30-31-25(23)28-14-17-5-11-21(33)12-6-17)13-16-3-9-20(10-4-16)29-26(35)19-7-1-18(15-32)2-8-19/h1-12,32-33H,13-15H2,(H2,27,34)(H,29,35)(H2,28,30,31).
What are the key properties of 5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 3.16, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 147041846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).