(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide

C15H18N6O2 — CID 129329890

IUPAC(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESCC(=O)Nc1ccn([C@H]2CCN(C(=O)Nc3ccccn3)C2)n1
InChIInChI=1S/C15H18N6O2/c1-11(22)17-14-6-9-21(19-14)12-5-8-20(10-12)15(23)18-13-4-2-3-7-16-13/h2-4,6-7,9,12H,5,8,10H2,1H3,(H,16,18,23)(H,17,19,22)/t12-/m0/s1
InChIKeyGXSLJXQHYPIFGJ-LBPRGKRZSA-N
MW314.35 g/mol
LogP1.72
Rot. Bonds3

About (3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide

(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide (PubChem CID 129329890) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is (3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
PubChem CID129329890
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESCC(=O)Nc1ccn([C@H]2CCN(C(=O)Nc3ccccn3)C2)n1
InChIInChI=1S/C15H18N6O2/c1-11(22)17-14-6-9-21(19-14)12-5-8-20(10-12)15(23)18-13-4-2-3-7-16-13/h2-4,6-7,9,12H,5,8,10H2,1H3,(H,16,18,23)(H,17,19,22)/t12-/m0/s1
InChIKeyGXSLJXQHYPIFGJ-LBPRGKRZSA-N
XLogP1.72
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
N-[1-[(3S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129335452
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-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326651
N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129325783
N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327694
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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide (CID 129329890) is (3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide is CC(=O)Nc1ccn([C@H]2CCN(C(=O)Nc3ccccn3)C2)n1.
What is the InChIKey of (3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is GXSLJXQHYPIFGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-11(22)17-14-6-9-21(19-14)12-5-8-20(10-12)15(23)18-13-4-2-3-7-16-13/h2-4,6-7,9,12H,5,8,10H2,1H3,(H,16,18,23)(H,17,19,22)/t12-/m0/s1.
What are the key properties of (3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide?
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 129329890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).