[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone

C16H19N3O3 — CID 110336268

IUPAC[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)nn2C)cc1
InChIInChI=1S/C16H19N3O3/c1-18-15(12-3-5-13(21-2)6-4-12)11-14(17-18)16(20)19-7-9-22-10-8-19/h3-6,11H,7-10H2,1-2H3
InChIKeyWHIOFSYOVXMKGA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.57
Rot. Bonds3

About [5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone

[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 110336268) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID110336268
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)nn2C)cc1
InChIInChI=1S/C16H19N3O3/c1-18-15(12-3-5-13(21-2)6-4-12)11-14(17-18)16(20)19-7-9-22-10-8-19/h3-6,11H,7-10H2,1-2H3
InChIKeyWHIOFSYOVXMKGA-UHFFFAOYSA-N
XLogP1.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
[1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 110619029
5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
CID 112710654
N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336301
[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone
CID 11742058
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110299419
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone (CID 110336268) is [5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCOCC3)nn2C)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WHIOFSYOVXMKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18-15(12-3-5-13(21-2)6-4-12)11-14(17-18)16(20)19-7-9-22-10-8-19/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone?
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 301.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110336268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).