N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C15H22N4O3 — CID 129326651

IUPACN-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)O3)C2)n1
InChIInChI=1S/C15H22N4O3/c1-10-3-4-13(22-10)15(21)18-7-5-12(9-18)19-8-6-14(17-19)16-11(2)20/h6,8,10,12-13H,3-5,7,9H2,1-2H3,(H,16,17,20)/t10-,12+,13+/m0/s1
InChIKeyLZHOMLXREDVETF-CYZMBNFOSA-N
MW306.37 g/mol
LogP1.18
Rot. Bonds3

About N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129326651) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129326651
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)O3)C2)n1
InChIInChI=1S/C15H22N4O3/c1-10-3-4-13(22-10)15(21)18-7-5-12(9-18)19-8-6-14(17-19)16-11(2)20/h6,8,10,12-13H,3-5,7,9H2,1-2H3,(H,16,17,20)/t10-,12+,13+/m0/s1
InChIKeyLZHOMLXREDVETF-CYZMBNFOSA-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-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327694
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
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
N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326625
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129335452
N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327403
N-[1-[(3S)-1-[(2R)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327404
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330276
N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 128968158
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129326651) is N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)O3)C2)n1.
What is the InChIKey of N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is LZHOMLXREDVETF-CYZMBNFOSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-3-4-13(22-10)15(21)18-7-5-12(9-18)19-8-6-14(17-19)16-11(2)20/h6,8,10,12-13H,3-5,7,9H2,1-2H3,(H,16,17,20)/t10-,12+,13+/m0/s1.
What are the key properties of N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-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,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129326651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).