3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide

C27H27N3O3 — CID 11419335

IUPAC3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(Cc3c(C)nn(CCO)c3-c3ccccc3)c2)c1
InChIInChI=1S/C27H27N3O3/c1-19-25(26(30(29-19)14-15-31)21-9-4-3-5-10-21)17-20-8-6-11-22(16-20)27(32)28-23-12-7-13-24(18-23)33-2/h3-13,16,18,31H,14-15,17H2,1-2H3,(H,28,32)
InChIKeyGVIQKWLMPCWEFN-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.70
Rot. Bonds8

About 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide

3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide (PubChem CID 11419335) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide
PubChem CID11419335
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(Cc3c(C)nn(CCO)c3-c3ccccc3)c2)c1
InChIInChI=1S/C27H27N3O3/c1-19-25(26(30(29-19)14-15-31)21-9-4-3-5-10-21)17-20-8-6-11-22(16-20)27(32)28-23-12-7-13-24(18-23)33-2/h3-13,16,18,31H,14-15,17H2,1-2H3,(H,28,32)
InChIKeyGVIQKWLMPCWEFN-UHFFFAOYSA-N
XLogP4.70
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide (CID 11419335) is 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cccc(Cc3c(C)nn(CCO)c3-c3ccccc3)c2)c1.
What is the InChIKey of 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is GVIQKWLMPCWEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19-25(26(30(29-19)14-15-31)21-9-4-3-5-10-21)17-20-8-6-11-22(16-20)27(32)28-23-12-7-13-24(18-23)33-2/h3-13,16,18,31H,14-15,17H2,1-2H3,(H,28,32).
What are the key properties of 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide?
3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 441.53 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 11419335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).