N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C14H22N4O3 — CID 129327403

IUPACN-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCCO[C@@H](C)C(=O)N1CC[C@H](n2ccc(NC(C)=O)n2)C1
InChIInChI=1S/C14H22N4O3/c1-4-21-10(2)14(20)17-7-5-12(9-17)18-8-6-13(16-18)15-11(3)19/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,15,16,19)/t10-,12-/m0/s1
InChIKeySZIQIBZEAIBSIA-JQWIXIFHSA-N
MW294.36 g/mol
LogP1.04
Rot. Bonds5

About N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129327403) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129327403
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCCO[C@@H](C)C(=O)N1CC[C@H](n2ccc(NC(C)=O)n2)C1
InChIInChI=1S/C14H22N4O3/c1-4-21-10(2)14(20)17-7-5-12(9-17)18-8-6-13(16-18)15-11(3)19/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,15,16,19)/t10-,12-/m0/s1
InChIKeySZIQIBZEAIBSIA-JQWIXIFHSA-N
XLogP1.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3S)-1-[(2R)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327404
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
(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
N-[1-[(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129341818
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
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-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 128968158
N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129335489

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129327403) is N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CCO[C@@H](C)C(=O)N1CC[C@H](n2ccc(NC(C)=O)n2)C1.
What is the InChIKey of N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is SZIQIBZEAIBSIA-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-21-10(2)14(20)17-7-5-12(9-17)18-8-6-13(16-18)15-11(3)19/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,15,16,19)/t10-,12-/m0/s1.
What are the key properties of N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 294.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129327403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).