2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide

C27H27N3O5 — CID 135910338

IUPAC2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
SMILESCc1ccccc1-n1nccc1-c1cc(C(=O)N(C)Cc2ccccc2OCCO)c(O)cc1O
InChIInChI=1S/C27H27N3O5/c1-18-7-3-5-9-22(18)30-23(11-12-28-30)20-15-21(25(33)16-24(20)32)27(34)29(2)17-19-8-4-6-10-26(19)35-14-13-31/h3-12,15-16,31-33H,13-14,17H2,1-2H3
InChIKeyJFZSAPOITDWZAG-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.90
Rot. Bonds8

About 2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide

2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide (PubChem CID 135910338) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
PubChem CID135910338
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
SMILESCc1ccccc1-n1nccc1-c1cc(C(=O)N(C)Cc2ccccc2OCCO)c(O)cc1O
InChIInChI=1S/C27H27N3O5/c1-18-7-3-5-9-22(18)30-23(11-12-28-30)20-15-21(25(33)16-24(20)32)27(34)29(2)17-19-8-4-6-10-26(19)35-14-13-31/h3-12,15-16,31-33H,13-14,17H2,1-2H3
InChIKeyJFZSAPOITDWZAG-UHFFFAOYSA-N
XLogP3.90
TPSA108.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide (CID 135910338) is 2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide is Cc1ccccc1-n1nccc1-c1cc(C(=O)N(C)Cc2ccccc2OCCO)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is JFZSAPOITDWZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-18-7-3-5-9-22(18)30-23(11-12-28-30)20-15-21(25(33)16-24(20)32)27(34)29(2)17-19-8-4-6-10-26(19)35-14-13-31/h3-12,15-16,31-33H,13-14,17H2,1-2H3.
What are the key properties of 2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 473.53 g/mol, XLogP of 3.90, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 135910338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).