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

C18H30N4O2 — CID 124817489

IUPAC4-[(2R,3S)-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+/m0/s1
InChIKeyLDSRSJQXNSVSGI-ZWKOTPCHSA-N
MW334.46 g/mol
LogP0.92
Rot. Bonds4

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

4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine (PubChem CID 124817489) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine
PubChem CID124817489
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name4-[(2R,3S)-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+/m0/s1
InChIKeyLDSRSJQXNSVSGI-ZWKOTPCHSA-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-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine with MolForge

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Related Compounds

4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]morpholine
CID 125192278
furan-2-yl-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 125215138
[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97471026
1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpyrrolidin-3-yl]piperazine
CID 97392121
(2S,3R)-3-(4-methylpiperazin-1-yl)-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 97392122
N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 106469390
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270
(2S,3R)-N,N-dimethyl-1-(oxan-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 97470922
(3aS,6aR)-4-[(1-methylpyrazol-4-yl)methyl]-1-[[(3R)-oxolan-3-yl]methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98777204
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
4-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]morpholine
CID 126947279

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine (CID 124817489) is 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2R,3S)-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-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is LDSRSJQXNSVSGI-ZWKOTPCHSA-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+/m0/s1.
What are the key properties of 4-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine?
4-[(2R,3S)-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-[(2R,3S)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 124817489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).