2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone

C14H22N4O — CID 82746456

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCC3CCCCC32)c1N
InChIInChI=1S/C14H22N4O/c1-2-10-12(15)13(17-16-10)14(19)18-8-7-9-5-3-4-6-11(9)18/h9,11H,2-8,15H2,1H3,(H,16,17)
InChIKeyHFHPFVBMUNUCLQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.96
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone (PubChem CID 82746456) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
PubChem CID82746456
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCC3CCCCC32)c1N
InChIInChI=1S/C14H22N4O/c1-2-10-12(15)13(17-16-10)14(19)18-8-7-9-5-3-4-6-11(9)18/h9,11H,2-8,15H2,1H3,(H,16,17)
InChIKeyHFHPFVBMUNUCLQ-UHFFFAOYSA-N
XLogP1.96
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 62082683
(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
(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
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-amino-5-propyl-1H-pyrazol-3-yl)methanone
CID 62077104
1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 62082349
(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)-(4-methylazepan-1-yl)methanone
CID 63624225
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62083228
(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62077251
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
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216391

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone (CID 82746456) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone is CCc1[nH]nc(C(=O)N2CCC3CCCCC32)c1N.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone?
The InChIKey is HFHPFVBMUNUCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-10-12(15)13(17-16-10)14(19)18-8-7-9-5-3-4-6-11(9)18/h9,11H,2-8,15H2,1H3,(H,16,17).
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 82746456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).