4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine

C15H25N3O — CID 70306839

IUPAC4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine
SMILESC[C@H]1[C@@H](CCn2cccn2)C[C@H]1CN1CCOCC1
InChIInChI=1S/C15H25N3O/c1-13-14(3-6-18-5-2-4-16-18)11-15(13)12-17-7-9-19-10-8-17/h2,4-5,13-15H,3,6-12H2,1H3/t13-,14-,15-/m0/s1
InChIKeyGJXWLJKFKHCZLT-KKUMJFAQSA-N
MW263.38 g/mol
LogP1.88
Rot. Bonds5

About 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine

4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine (PubChem CID 70306839) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine
PubChem CID70306839
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine
SMILESC[C@H]1[C@@H](CCn2cccn2)C[C@H]1CN1CCOCC1
InChIInChI=1S/C15H25N3O/c1-13-14(3-6-18-5-2-4-16-18)11-15(13)12-17-7-9-19-10-8-17/h2,4-5,13-15H,3,6-12H2,1H3/t13-,14-,15-/m0/s1
InChIKeyGJXWLJKFKHCZLT-KKUMJFAQSA-N
XLogP1.88
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine with MolForge

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Related Compounds

1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
2,6-dimethyl-4-(2-pyrazol-1-ylethyl)morpholine
CID 172900914
1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole
CID 66474739
4-[(2-methylcyclobutyl)methyl]morpholine
CID 67036054
N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine
CID 63853080
(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
CID 115278412
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide
CID 90607429
4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 71874854
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
CID 126946440
1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
CID 91831285
1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 75508325
(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 97065320

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine?
The IUPAC name of 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine (CID 70306839) is 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine.
What is the SMILES notation for 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine?
The canonical SMILES for 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine is C[C@H]1[C@@H](CCn2cccn2)C[C@H]1CN1CCOCC1.
What is the InChIKey of 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine?
The InChIKey is GJXWLJKFKHCZLT-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13-14(3-6-18-5-2-4-16-18)11-15(13)12-17-7-9-19-10-8-17/h2,4-5,13-15H,3,6-12H2,1H3/t13-,14-,15-/m0/s1.
What are the key properties of 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine?
4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine has a molecular weight of 263.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine is sourced from PubChem (CID 70306839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).