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

C18H23N3O3 — CID 71706108

IUPAC2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H23N3O3/c1-12-16(10-17(22)19-11-15-4-3-9-24-15)18(21-20-12)13-5-7-14(23-2)8-6-13/h5-8,15H,3-4,9-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIZNQWTUGILHQCI-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.23
Rot. Bonds6

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

2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 71706108) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID71706108
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H23N3O3/c1-12-16(10-17(22)19-11-15-4-3-9-24-15)18(21-20-12)13-5-7-14(23-2)8-6-13/h5-8,15H,3-4,9-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIZNQWTUGILHQCI-UHFFFAOYSA-N
XLogP2.23
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 71706108) is 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IZNQWTUGILHQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-16(10-17(22)19-11-15-4-3-9-24-15)18(21-20-12)13-5-7-14(23-2)8-6-13/h5-8,15H,3-4,9-11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 71706108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).