ethane;2-(1-methylpyrazol-4-yl)morpholine

C10H19N3O — CID 177151428

IUPACethane;2-(1-methylpyrazol-4-yl)morpholine
SMILESCC.Cn1cc(C2CNCCO2)cn1
InChIInChI=1S/C8H13N3O.C2H6/c1-11-6-7(4-10-11)8-5-9-2-3-12-8;1-2/h4,6,8-9H,2-3,5H2,1H3;1-2H3
InChIKeyLNJXYZRAWPCLCY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.11
Rot. Bonds1

About ethane;2-(1-methylpyrazol-4-yl)morpholine

ethane;2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 177151428) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Nameethane;2-(1-methylpyrazol-4-yl)morpholine
PubChem CID177151428
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Nameethane;2-(1-methylpyrazol-4-yl)morpholine
SMILESCC.Cn1cc(C2CNCCO2)cn1
InChIInChI=1S/C8H13N3O.C2H6/c1-11-6-7(4-10-11)8-5-9-2-3-12-8;1-2/h4,6,8-9H,2-3,5H2,1H3;1-2H3
InChIKeyLNJXYZRAWPCLCY-UHFFFAOYSA-N
XLogP1.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1-methylpyrazol-4-yl)-1,4-oxazepane
CID 96749778
(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 177322255
2-(1-methylpyrrol-3-yl)morpholine
CID 82280335
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-imine
CID 163821583
1-methyl-4-(3,4,5,6-tetrahydro-2H-pyran-4-id-2-yl)pyrazole;zinc
CID 175423352
(2R)-4-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 176675688
2-(1,4-dimethylpyrazol-3-yl)morpholine
CID 131585478
4-(4-bromooxan-2-yl)-1-methylpyrazole
CID 157045046
2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine
CID 117414129
4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride
CID 166561535
2-(3-chloro-1-methylindol-5-yl)morpholine
CID 117380161

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of ethane;2-(1-methylpyrazol-4-yl)morpholine (CID 177151428) is ethane;2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for ethane;2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for ethane;2-(1-methylpyrazol-4-yl)morpholine is CC.Cn1cc(C2CNCCO2)cn1.
What is the InChIKey of ethane;2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is LNJXYZRAWPCLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.C2H6/c1-11-6-7(4-10-11)8-5-9-2-3-12-8;1-2/h4,6,8-9H,2-3,5H2,1H3;1-2H3.
What are the key properties of ethane;2-(1-methylpyrazol-4-yl)morpholine?
ethane;2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 197.28 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 177151428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).