3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone

C13H21N5O — CID 62081826

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCN3CCCC3C2)c1N
InChIInChI=1S/C13H21N5O/c1-2-10-11(14)12(16-15-10)13(19)18-7-6-17-5-3-4-9(17)8-18/h9H,2-8,14H2,1H3,(H,15,16)
InChIKeyOLEJHOGJCYKWRW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.47
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone (PubChem CID 62081826) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
PubChem CID62081826
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCN3CCCC3C2)c1N
InChIInChI=1S/C13H21N5O/c1-2-10-11(14)12(16-15-10)13(19)18-7-6-17-5-3-4-9(17)8-18/h9H,2-8,14H2,1H3,(H,15,16)
InChIKeyOLEJHOGJCYKWRW-UHFFFAOYSA-N
XLogP0.47
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-amino-5-ethyl-1H-pyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79940364
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62083228
(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 115533013
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 63624225
(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 55211374
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
CID 62082506
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677537
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796732
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 55033901
1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 62082683
methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate
CID 62080955

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone (CID 62081826) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone is CCc1[nH]nc(C(=O)N2CCN3CCCC3C2)c1N.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone?
The InChIKey is OLEJHOGJCYKWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-10-11(14)12(16-15-10)13(19)18-7-6-17-5-3-4-9(17)8-18/h9H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 62081826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).