1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine

C16H20N4O2 — CID 56892169

IUPAC1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc2c(c1)OCO2)Cc1cc2n(n1)CCNC2
InChIInChI=1S/C16H20N4O2/c1-19(9-12-2-3-15-16(6-12)22-11-21-15)10-13-7-14-8-17-4-5-20(14)18-13/h2-3,6-7,17H,4-5,8-11H2,1H3
InChIKeyNRSPWHXFZPYTJP-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.35
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine

1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine (PubChem CID 56892169) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine
PubChem CID56892169
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc2c(c1)OCO2)Cc1cc2n(n1)CCNC2
InChIInChI=1S/C16H20N4O2/c1-19(9-12-2-3-15-16(6-12)22-11-21-15)10-13-7-14-8-17-4-5-20(14)18-13/h2-3,6-7,17H,4-5,8-11H2,1H3
InChIKeyNRSPWHXFZPYTJP-UHFFFAOYSA-N
XLogP1.35
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine (CID 56892169) is 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine is CN(Cc1ccc2c(c1)OCO2)Cc1cc2n(n1)CCNC2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine?
The InChIKey is NRSPWHXFZPYTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19(9-12-2-3-15-16(6-12)22-11-21-15)10-13-7-14-8-17-4-5-20(14)18-13/h2-3,6-7,17H,4-5,8-11H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine?
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine has a molecular weight of 300.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 56892169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).