morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone

C11H17N3O2 — CID 973775

IUPACmorpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)N2CCOCC2)c(C)c1C
InChIInChI=1S/C11H17N3O2/c1-8-9(2)12-14(10(8)3)11(15)13-4-6-16-7-5-13/h4-7H2,1-3H3
InChIKeySDHVTFRPUAQRPW-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.11
Rot. Bonds

About morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone

morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone (PubChem CID 973775) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone
PubChem CID973775
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemorpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)N2CCOCC2)c(C)c1C
InChIInChI=1S/C11H17N3O2/c1-8-9(2)12-14(10(8)3)11(15)13-4-6-16-7-5-13/h4-7H2,1-3H3
InChIKeySDHVTFRPUAQRPW-UHFFFAOYSA-N
XLogP1.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1-(morpholine-4-carbonyl)-1H-pyrazol-4-yl)ethanone
CID 2928061
N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
CID 75399233
N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
CID 118740635
N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
CID 118740638
3,5-Dimethylpyrazolyl morpholin-4-yl ketone
CID 735604
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(morpholino)methanone
CID 831786
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71868463
3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-[[(2S)-1,4-dioxan-2-yl]methyl]-1-methylurea
CID 125439197
3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N,N-diethylmorpholine-4-carboxamide
CID 75475544
(3S)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N,N-diethylmorpholine-4-carboxamide
CID 97346709
(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N,N-diethylmorpholine-4-carboxamide
CID 97346710
3-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpiperidine-1-carboxamide
CID 167810626

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone?
The IUPAC name of morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone (CID 973775) is morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone?
The canonical SMILES for morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone is Cc1nn(C(=O)N2CCOCC2)c(C)c1C.
What is the InChIKey of morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone?
The InChIKey is SDHVTFRPUAQRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-9(2)12-14(10(8)3)11(15)13-4-6-16-7-5-13/h4-7H2,1-3H3.
What are the key properties of morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone?
morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(3,4,5-trimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 973775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).