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

C19H26N4O3 — CID 71705414

IUPAC2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C19H26N4O3/c1-14-17(13-18(24)20-7-8-23-9-11-26-12-10-23)19(22-21-14)15-3-5-16(25-2)6-4-15/h3-6H,7-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyDUEFHQSTRVBSPS-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.38
Rot. Bonds7

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

2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 71705414) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID71705414
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C19H26N4O3/c1-14-17(13-18(24)20-7-8-23-9-11-26-12-10-23)19(22-21-14)15-3-5-16(25-2)6-4-15/h3-6H,7-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyDUEFHQSTRVBSPS-UHFFFAOYSA-N
XLogP1.38
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 71705414) is 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is COc1ccc(-c2n[nH]c(C)c2CC(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is DUEFHQSTRVBSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14-17(13-18(24)20-7-8-23-9-11-26-12-10-23)19(22-21-14)15-3-5-16(25-2)6-4-15/h3-6H,7-13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 71705414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).