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

C14H23N5O — CID 79940586

IUPAC(4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCCn1cc(N)c(C(=O)N2CC3CCCN3CC2C)n1
InChIInChI=1S/C14H23N5O/c1-3-18-9-12(15)13(16-18)14(20)19-8-11-5-4-6-17(11)7-10(19)2/h9-11H,3-8,15H2,1-2H3
InChIKeyATEZHJGUGAATPP-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.79
Rot. Bonds2

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

(4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 79940586) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID79940586
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCCn1cc(N)c(C(=O)N2CC3CCCN3CC2C)n1
InChIInChI=1S/C14H23N5O/c1-3-18-9-12(15)13(16-18)14(20)19-8-11-5-4-6-17(11)7-10(19)2/h9-11H,3-8,15H2,1-2H3
InChIKeyATEZHJGUGAATPP-UHFFFAOYSA-N
XLogP0.79
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 65357847
(4-amino-1-ethylpyrazol-3-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65357930
(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-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 65358510
[1-(2-aminoethyl)triazol-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79938031
(6-aminopyridazin-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79945203
2-(3-aminopyrazol-1-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 79940809
(4-amino-3,5-difluorophenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79933931
(4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66391657
(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 132586470
(3-hydroxy-2-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 79934857
[2-(aminomethyl)-4-pyridinyl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 114326800

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 79940586) is (4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is CCn1cc(N)c(C(=O)N2CC3CCCN3CC2C)n1.
What is the InChIKey of (4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is ATEZHJGUGAATPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-18-9-12(15)13(16-18)14(20)19-8-11-5-4-6-17(11)7-10(19)2/h9-11H,3-8,15H2,1-2H3.
What are the key properties of (4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 79940586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).