N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C15H17N5O3 — CID 129335452

IUPACN-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2CCN(C(=O)c3cncc(O)c3)C2)n1
InChIInChI=1S/C15H17N5O3/c1-10(21)17-14-3-5-20(18-14)12-2-4-19(9-12)15(23)11-6-13(22)8-16-7-11/h3,5-8,12,22H,2,4,9H2,1H3,(H,17,18,21)/t12-/m0/s1
InChIKeyPEKMZUXDZKPCJY-LBPRGKRZSA-N
MW315.33 g/mol
LogP1.03
Rot. Bonds3

About N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129335452) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129335452
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2CCN(C(=O)c3cncc(O)c3)C2)n1
InChIInChI=1S/C15H17N5O3/c1-10(21)17-14-3-5-20(18-14)12-2-4-19(9-12)15(23)11-6-13(22)8-16-7-11/h3,5-8,12,22H,2,4,9H2,1H3,(H,17,18,21)/t12-/m0/s1
InChIKeyPEKMZUXDZKPCJY-LBPRGKRZSA-N
XLogP1.03
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327694
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326651
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
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-[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129325497
N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326625
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-hydroxy-3-pyridinyl)methanone
CID 63860883

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129335452) is N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn([C@H]2CCN(C(=O)c3cncc(O)c3)C2)n1.
What is the InChIKey of N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is PEKMZUXDZKPCJY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10(21)17-14-3-5-20(18-14)12-2-4-19(9-12)15(23)11-6-13(22)8-16-7-11/h3,5-8,12,22H,2,4,9H2,1H3,(H,17,18,21)/t12-/m0/s1.
What are the key properties of N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129335452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).