4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine

C18H30N4O2 — CID 97471027

IUPAC4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine
SMILESCn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2C2CCOCC2)cn1
InChIInChI=1S/C18H30N4O2/c1-20-14-15(13-19-20)12-18-17(21-6-10-24-11-7-21)2-5-22(18)16-3-8-23-9-4-16/h13-14,16-18H,2-12H2,1H3/t17-,18+/m1/s1
InChIKeyLDSRSJQXNSVSGI-MSOLQXFVSA-N
MW334.46 g/mol
LogP0.92
Rot. Bonds4

About 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine

4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine (PubChem CID 97471027) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine
PubChem CID97471027
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine
SMILESCn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2C2CCOCC2)cn1
InChIInChI=1S/C18H30N4O2/c1-20-14-15(13-19-20)12-18-17(21-6-10-24-11-7-21)2-5-22(18)16-3-8-23-9-4-16/h13-14,16-18H,2-12H2,1H3/t17-,18+/m1/s1
InChIKeyLDSRSJQXNSVSGI-MSOLQXFVSA-N
XLogP0.92
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine with MolForge

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Related Compounds

(3S,3aR,7aS)-1-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97379067
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)pyrrolidin-3-ol
CID 97384247
1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]piperazine
CID 97471033
1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]piperazine
CID 127021120
1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]piperazine
CID 127021121
2-(1-Methylpyrazol-4-yl)-1-[2-(oxan-2-yloxy)ethyl]piperidine
CID 121589551
4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 127022310
1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]piperazine;tris(2,2,2-trifluoroacetic acid)
CID 127022353
1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]piperazine;tris(2,2,2-trifluoroacetic acid)
CID 127022356
(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155826796
1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]piperazine;bis(2,2,2-trifluoroacetic acid)
CID 171692380
1-(2-Ethylmorpholin-4-yl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72044842

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine (CID 97471027) is 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine is Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2C2CCOCC2)cn1.
What is the InChIKey of 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is LDSRSJQXNSVSGI-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-20-14-15(13-19-20)12-18-17(21-6-10-24-11-7-21)2-5-22(18)16-3-8-23-9-4-16/h13-14,16-18H,2-12H2,1H3/t17-,18+/m1/s1.
What are the key properties of 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine?
4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 334.46 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 97471027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).