N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C15H22N4O2 — CID 107389458

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCC3COC(C)(C)O3)nccn2n1
InChIInChI=1S/C15H22N4O2/c1-10(2)12-7-13-14(16-5-6-19(13)18-12)17-8-11-9-20-15(3,4)21-11/h5-7,10-11H,8-9H2,1-4H3,(H,16,17)
InChIKeyFPXSFGRVGYDSLG-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.42
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 107389458) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID107389458
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCC3COC(C)(C)O3)nccn2n1
InChIInChI=1S/C15H22N4O2/c1-10(2)12-7-13-14(16-5-6-19(13)18-12)17-8-11-9-20-15(3,4)21-11/h5-7,10-11H,8-9H2,1-4H3,(H,16,17)
InChIKeyFPXSFGRVGYDSLG-UHFFFAOYSA-N
XLogP2.42
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 107389458) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NCC3COC(C)(C)O3)nccn2n1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is FPXSFGRVGYDSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)12-7-13-14(16-5-6-19(13)18-12)17-8-11-9-20-15(3,4)21-11/h5-7,10-11H,8-9H2,1-4H3,(H,16,17).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 107389458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).