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

C24H29N3O3 — CID 137303063

IUPACN-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
SMILESCCCCCCN(C)C(=O)c1cc(-c2ccnn2-c2ccccc2C)c(O)cc1O
InChIInChI=1S/C24H29N3O3/c1-4-5-6-9-14-26(3)24(30)19-15-18(22(28)16-23(19)29)21-12-13-25-27(21)20-11-8-7-10-17(20)2/h7-8,10-13,15-16,28-29H,4-6,9,14H2,1-3H3
InChIKeySVJTXLBVTPOYEV-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.91
Rot. Bonds8

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

N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide (PubChem CID 137303063) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
PubChem CID137303063
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
SMILESCCCCCCN(C)C(=O)c1cc(-c2ccnn2-c2ccccc2C)c(O)cc1O
InChIInChI=1S/C24H29N3O3/c1-4-5-6-9-14-26(3)24(30)19-15-18(22(28)16-23(19)29)21-12-13-25-27(21)20-11-8-7-10-17(20)2/h7-8,10-13,15-16,28-29H,4-6,9,14H2,1-3H3
InChIKeySVJTXLBVTPOYEV-UHFFFAOYSA-N
XLogP4.91
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide (CID 137303063) is N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide is CCCCCCN(C)C(=O)c1cc(-c2ccnn2-c2ccccc2C)c(O)cc1O.
What is the InChIKey of N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is SVJTXLBVTPOYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-5-6-9-14-26(3)24(30)19-15-18(22(28)16-23(19)29)21-12-13-25-27(21)20-11-8-7-10-17(20)2/h7-8,10-13,15-16,28-29H,4-6,9,14H2,1-3H3.
What are the key properties of N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 407.51 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 137303063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).