2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide

C23H27N3O3 — CID 83280532

IUPAC2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2c(-c3ccccc3OC)n[nH]c2CC(C)C)c1
InChIInChI=1S/C23H27N3O3/c1-15(2)12-19-23(22(26-25-19)18-10-5-6-11-20(18)29-4)24-21(27)14-16-8-7-9-17(13-16)28-3/h5-11,13,15H,12,14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyAPNVZRZLAZHXFQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.47
Rot. Bonds8

About 2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide

2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 83280532) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
PubChem CID83280532
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2c(-c3ccccc3OC)n[nH]c2CC(C)C)c1
InChIInChI=1S/C23H27N3O3/c1-15(2)12-19-23(22(26-25-19)18-10-5-6-11-20(18)29-4)24-21(27)14-16-8-7-9-17(13-16)28-3/h5-11,13,15H,12,14H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyAPNVZRZLAZHXFQ-UHFFFAOYSA-N
XLogP4.47
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
2-(3-methoxyphenyl)-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 71804998
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 42686897
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685763
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 42874156
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874188
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide (CID 83280532) is 2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide is COc1cccc(CC(=O)Nc2c(-c3ccccc3OC)n[nH]c2CC(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is APNVZRZLAZHXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)12-19-23(22(26-25-19)18-10-5-6-11-20(18)29-4)24-21(27)14-16-8-7-9-17(13-16)28-3/h5-11,13,15H,12,14H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 83280532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).