N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C15H22N4O3 — CID 129327694

IUPACN-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2)n1
InChIInChI=1S/C15H22N4O3/c1-11(20)16-14-6-8-19(17-14)12-5-7-18(10-12)15(21)13-4-2-3-9-22-13/h6,8,12-13H,2-5,7,9-10H2,1H3,(H,16,17,20)/t12-,13-/m1/s1
InChIKeyWAYFKQZOHCMXBX-CHWSQXEVSA-N
MW306.37 g/mol
LogP1.18
Rot. Bonds3

About N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129327694) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129327694
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2)n1
InChIInChI=1S/C15H22N4O3/c1-11(20)16-14-6-8-19(17-14)12-5-7-18(10-12)15(21)13-4-2-3-9-22-13/h6,8,12-13H,2-5,7,9-10H2,1H3,(H,16,17,20)/t12-,13-/m1/s1
InChIKeyWAYFKQZOHCMXBX-CHWSQXEVSA-N
XLogP1.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326651
N-[1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129339923
N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326625
N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129335452
N-[1-[1-(2-methylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004090
N-[1-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 128997241
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
N-[1-[(3S)-1-[(2R)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327404
N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327403
N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 128970282
[(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 129344909

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129327694) is N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2)n1.
What is the InChIKey of N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is WAYFKQZOHCMXBX-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11(20)16-14-6-8-19(17-14)12-5-7-18(10-12)15(21)13-4-2-3-9-22-13/h6,8,12-13H,2-5,7,9-10H2,1H3,(H,16,17,20)/t12-,13-/m1/s1.
What are the key properties of N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129327694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).