(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

C14H23N5O — CID 79940364

IUPAC(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
SMILESCCc1[nH]nc(C(=O)N2CC3CCCN3CC2C)c1N
InChIInChI=1S/C14H23N5O/c1-3-11-12(15)13(17-16-11)14(20)19-8-10-5-4-6-18(10)7-9(19)2/h9-10H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyJAMCGZAOWKADPZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.86
Rot. Bonds2

About (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

(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 (PubChem CID 79940364) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID79940364
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(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
SMILESCCc1[nH]nc(C(=O)N2CC3CCCN3CC2C)c1N
InChIInChI=1S/C14H23N5O/c1-3-11-12(15)13(17-16-11)14(20)19-8-10-5-4-6-18(10)7-9(19)2/h9-10H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyJAMCGZAOWKADPZ-UHFFFAOYSA-N
XLogP0.86
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

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
1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 62082683
(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
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 63624225
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
CID 82746456
(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
1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 62082349
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1[nH]nc(C(=O)N2CC3CCCN3CC2C)c1N.
What is the InChIKey of (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?
The InChIKey is JAMCGZAOWKADPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-11-12(15)13(17-16-11)14(20)19-8-10-5-4-6-18(10)7-9(19)2/h9-10H,3-8,15H2,1-2H3,(H,16,17).
What are the key properties of (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?
(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 has a molecular weight of 277.37 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 79940364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).