(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

C14H23N5O — CID 66122826

IUPAC(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CCN3CCCCC3C2)c1N
InChIInChI=1S/C14H23N5O/c1-10-12(15)13(17(2)16-10)14(20)19-8-7-18-6-4-3-5-11(18)9-19/h11H,3-9,15H2,1-2H3
InChIKeyZRNKFVIDLNXIBR-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.62
Rot. Bonds1

About (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone (PubChem CID 66122826) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
PubChem CID66122826
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CCN3CCCCC3C2)c1N
InChIInChI=1S/C14H23N5O/c1-10-12(15)13(17(2)16-10)14(20)19-8-7-18-6-4-3-5-11(18)9-19/h11H,3-9,15H2,1-2H3
InChIKeyZRNKFVIDLNXIBR-UHFFFAOYSA-N
XLogP0.62
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[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-1,3-dimethylpyrazol-5-yl)methanone
CID 66122825
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 66124763
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 66125351
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 66124677
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 66125758
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 82746672
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 66123987
[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95719545
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 56821404
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66123826
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1-methylpyrrol-2-yl)methanone
CID 61108285
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone (CID 66122826) is (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone is Cc1nn(C)c(C(=O)N2CCN3CCCCC3C2)c1N.
What is the InChIKey of (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is ZRNKFVIDLNXIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-12(15)13(17(2)16-10)14(20)19-8-7-18-6-4-3-5-11(18)9-19/h11H,3-9,15H2,1-2H3.
What are the key properties of (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone?
(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 66122826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).