[(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C17H27FN4O2 — CID 120949396

IUPAC[(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C(C)C)cc1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H27FN4O2/c1-12(2)22-10-14(13(3)19-22)9-21-11-15(18)8-16(21)17(23)20-4-6-24-7-5-20/h10,12,15-16H,4-9,11H2,1-3H3/t15-,16+/m1/s1
InChIKeyGLFPAYWQZNJKFQ-CVEARBPZSA-N
MW338.43 g/mol
LogP1.54
Rot. Bonds4

About [(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120949396) has the molecular formula C17H27FN4O2 and a molecular weight of 338.43 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120949396
Molecular FormulaC17H27FN4O2
Molecular Weight338.43 g/mol
Exact Mass338.21
IUPAC Name[(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C(C)C)cc1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H27FN4O2/c1-12(2)22-10-14(13(3)19-22)9-21-11-15(18)8-16(21)17(23)20-4-6-24-7-5-20/h10,12,15-16H,4-9,11H2,1-3H3/t15-,16+/m1/s1
InChIKeyGLFPAYWQZNJKFQ-CVEARBPZSA-N
XLogP1.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1,5-Dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110249131
[8-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 124075214
4-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-L-prolyl}morpholine
CID 77082969
(2R)-N-butyl-N-ethyl-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetamide
CID 95789032
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-morpholin-4-ylpentanamide
CID 126840374
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
CID 164629294
[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 164634702
N-{[(2S,4S)-4-fluoro-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl}-1-(morpholin-4-yl)cyclobutane-1-carboxamide
CID 128183249
1-(3-Methyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 72122125
1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 96103079
1-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 96103080
1-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 96103081

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120949396) is [(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1nn(C(C)C)cc1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GLFPAYWQZNJKFQ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H27FN4O2/c1-12(2)22-10-14(13(3)19-22)9-21-11-15(18)8-16(21)17(23)20-4-6-24-7-5-20/h10,12,15-16H,4-9,11H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 338.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120949396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).