1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine

C14H25N5 — CID 79943900

IUPAC1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1N1CCN2CCCC2C1
InChIInChI=1S/C14H25N5/c1-11-13(9-15-2)14(17(3)16-11)19-8-7-18-6-4-5-12(18)10-19/h12,15H,4-10H2,1-3H3
InChIKeyKZXNGXZSBQWUPY-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.73
Rot. Bonds3

About 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 79943900) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID79943900
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1N1CCN2CCCC2C1
InChIInChI=1S/C14H25N5/c1-11-13(9-15-2)14(17(3)16-11)19-8-7-18-6-4-5-12(18)10-19/h12,15H,4-10H2,1-3H3
InChIKeyKZXNGXZSBQWUPY-UHFFFAOYSA-N
XLogP0.73
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine with MolForge

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Related Compounds

2-[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
CID 107228127
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55159710
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol
CID 62941352
1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine
CID 107083333
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474817
1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol
CID 61434543
[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
CID 63171037
1-[5-(4,4-diethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63158522
N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 61226605
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952249
ethyl 5-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-bromo-1-methylpyrazole-4-carboxylate
CID 140700864
N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide
CID 102736721

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 79943900) is 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1N1CCN2CCCC2C1.
What is the InChIKey of 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is KZXNGXZSBQWUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11-13(9-15-2)14(17(3)16-11)19-8-7-18-6-4-5-12(18)10-19/h12,15H,4-10H2,1-3H3.
What are the key properties of 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 263.39 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 79943900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).