N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide

C19H29N5O3 — CID 171143218

IUPACN-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
SMILESCCn1nccc1C(=O)N1CC2CC(NC(C)=O)CN2C(=O)C1CC(C)C
InChIInChI=1S/C19H29N5O3/c1-5-24-16(6-7-20-24)18(26)23-11-15-9-14(21-13(4)25)10-22(15)19(27)17(23)8-12(2)3/h6-7,12,14-15,17H,5,8-11H2,1-4H3,(H,21,25)
InChIKeyMETLQVVGPIEMSL-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.88
Rot. Bonds5

About N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide

N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide (PubChem CID 171143218) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
PubChem CID171143218
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC NameN-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
SMILESCCn1nccc1C(=O)N1CC2CC(NC(C)=O)CN2C(=O)C1CC(C)C
InChIInChI=1S/C19H29N5O3/c1-5-24-16(6-7-20-24)18(26)23-11-15-9-14(21-13(4)25)10-22(15)19(27)17(23)8-12(2)3/h6-7,12,14-15,17H,5,8-11H2,1-4H3,(H,21,25)
InChIKeyMETLQVVGPIEMSL-UHFFFAOYSA-N
XLogP0.88
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3,5-dimethoxyphenyl)acetyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
CID 171143211
N-[2-[3-(2-methoxyphenyl)propanoyl]-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
CID 171143210
N-[8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610424
N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
CID 171143230
N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide
CID 171155509
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743
N-[2-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
CID 171143237
(1R,2R,9R)-11-(2-ethylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195034
2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one
CID 64540904
2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548374
3-(2-ethylpyrazole-3-carbonyl)cyclopentan-1-one
CID 114556737
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The IUPAC name of N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide (CID 171143218) is N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide is CCn1nccc1C(=O)N1CC2CC(NC(C)=O)CN2C(=O)C1CC(C)C.
What is the InChIKey of N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The InChIKey is METLQVVGPIEMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-5-24-16(6-7-20-24)18(26)23-11-15-9-14(21-13(4)25)10-22(15)19(27)17(23)8-12(2)3/h6-7,12,14-15,17H,5,8-11H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpyrazole-3-carbonyl)-3-(2-methylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 171143218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).