5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine

C15H26N4 — CID 66016774

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CCCC3CCCCC32)c1N
InChIInChI=1S/C15H26N4/c1-3-12-14(16)15(18(2)17-12)19-10-6-8-11-7-4-5-9-13(11)19/h11,13H,3-10,16H2,1-2H3
InChIKeyPOSMWMJJNYXHSP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds2

About 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 66016774) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID66016774
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CCCC3CCCCC32)c1N
InChIInChI=1S/C15H26N4/c1-3-12-14(16)15(18(2)17-12)19-10-6-8-11-7-4-5-9-13(11)19/h11,13H,3-10,16H2,1-2H3
InChIKeyPOSMWMJJNYXHSP-UHFFFAOYSA-N
XLogP2.72
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine with MolForge

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Related Compounds

3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 66016811
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 113335507
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-methyl-3-propylpyrazol-4-amine
CID 66018492
5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 114086152
1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194465
3-ethyl-1-methyl-5-(2-pyridin-3-ylpyrrolidin-1-yl)pyrazol-4-amine
CID 66016187
3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66013850
5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 79188895
5-(2-cyclopentylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63751873
4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione
CID 66067136
5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 66015241
3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine
CID 66014243

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine (CID 66016774) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)c(N2CCCC3CCCCC32)c1N.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is POSMWMJJNYXHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-12-14(16)15(18(2)17-12)19-10-6-8-11-7-4-5-9-13(11)19/h11,13H,3-10,16H2,1-2H3.
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 66016774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).