N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine

C12H18N4 — CID 103126562

IUPACN-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
SMILESCCCCC(NC)c1cnn2ccncc12
InChIInChI=1S/C12H18N4/c1-3-4-5-11(13-2)10-8-15-16-7-6-14-9-12(10)16/h6-9,11,13H,3-5H2,1-2H3
InChIKeyMLBGXLUVKXGIQR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.18
Rot. Bonds5

About N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine

N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine (PubChem CID 103126562) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
PubChem CID103126562
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
SMILESCCCCC(NC)c1cnn2ccncc12
InChIInChI=1S/C12H18N4/c1-3-4-5-11(13-2)10-8-15-16-7-6-14-9-12(10)16/h6-9,11,13H,3-5H2,1-2H3
InChIKeyMLBGXLUVKXGIQR-UHFFFAOYSA-N
XLogP2.18
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine?
The IUPAC name of N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine (CID 103126562) is N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine.
What is the SMILES notation for N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine?
The canonical SMILES for N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine is CCCCC(NC)c1cnn2ccncc12.
What is the InChIKey of N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine?
The InChIKey is MLBGXLUVKXGIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-4-5-11(13-2)10-8-15-16-7-6-14-9-12(10)16/h6-9,11,13H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine?
N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine is sourced from PubChem (CID 103126562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).