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

C17H21N3O3 — CID 71708321

IUPAC2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H21N3O3/c1-12-15(11-16(21)20-7-9-23-10-8-20)17(19-18-12)13-3-5-14(22-2)6-4-13/h3-6H,7-11H2,1-2H3,(H,18,19)
InChIKeyLHNLHNSFTKAHRB-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.80
Rot. Bonds4

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

2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone (PubChem CID 71708321) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone
PubChem CID71708321
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H21N3O3/c1-12-15(11-16(21)20-7-9-23-10-8-20)17(19-18-12)13-3-5-14(22-2)6-4-13/h3-6H,7-11H2,1-2H3,(H,18,19)
InChIKeyLHNLHNSFTKAHRB-UHFFFAOYSA-N
XLogP1.80
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
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]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone (CID 71708321) is 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone is COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is LHNLHNSFTKAHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-15(11-16(21)20-7-9-23-10-8-20)17(19-18-12)13-3-5-14(22-2)6-4-13/h3-6H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone?
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 315.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 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]-1-morpholin-4-ylethanone is sourced from PubChem (CID 71708321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).