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

C26H24ClN3O4 — CID 135910444

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1cc(-c2ccnn2-c2ccccc2C)c(O)cc1O
InChIInChI=1S/C26H24ClN3O4/c1-16-6-4-5-7-21(16)30-22(10-11-28-30)19-13-20(24(32)14-23(19)31)26(33)29(2)15-17-12-18(27)8-9-25(17)34-3/h4-14,31-32H,15H2,1-3H3
InChIKeyAXQREWIINQHQOU-UHFFFAOYSA-N
MW477.95 g/mol
LogP5.19
Rot. Bonds6

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

N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide (PubChem CID 135910444) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
PubChem CID135910444
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1cc(-c2ccnn2-c2ccccc2C)c(O)cc1O
InChIInChI=1S/C26H24ClN3O4/c1-16-6-4-5-7-21(16)30-22(10-11-28-30)19-13-20(24(32)14-23(19)31)26(33)29(2)15-17-12-18(27)8-9-25(17)34-3/h4-14,31-32H,15H2,1-3H3
InChIKeyAXQREWIINQHQOU-UHFFFAOYSA-N
XLogP5.19
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.95
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide (CID 135910444) is N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide is COc1ccc(Cl)cc1CN(C)C(=O)c1cc(-c2ccnn2-c2ccccc2C)c(O)cc1O.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is AXQREWIINQHQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c1-16-6-4-5-7-21(16)30-22(10-11-28-30)19-13-20(24(32)14-23(19)31)26(33)29(2)15-17-12-18(27)8-9-25(17)34-3/h4-14,31-32H,15H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 477.95 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 135910444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).