4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine

C10H17N3O — CID 126855039

IUPAC4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
SMILESCc1nn(C)cc1CN1CCOCC1
InChIInChI=1S/C10H17N3O/c1-9-10(7-12(2)11-9)8-13-3-5-14-6-4-13/h7H,3-6,8H2,1-2H3
InChIKeyZRPFYSATOOEJSF-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.56
Rot. Bonds2

About 4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine

4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine (PubChem CID 126855039) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
PubChem CID126855039
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
SMILESCc1nn(C)cc1CN1CCOCC1
InChIInChI=1S/C10H17N3O/c1-9-10(7-12(2)11-9)8-13-3-5-14-6-4-13/h7H,3-6,8H2,1-2H3
InChIKeyZRPFYSATOOEJSF-UHFFFAOYSA-N
XLogP0.56
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371
[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine
CID 19627282
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900373
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 83094609
[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 131645555
[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95144268
1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 90484229
(3S)-3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1-azabicyclo[2.2.2]octane
CID 99927899

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of 4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine (CID 126855039) is 4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine is Cc1nn(C)cc1CN1CCOCC1.
What is the InChIKey of 4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine?
The InChIKey is ZRPFYSATOOEJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9-10(7-12(2)11-9)8-13-3-5-14-6-4-13/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine?
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine has a molecular weight of 195.27 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 126855039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).