2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine

C16H28N4 — CID 131677517

IUPAC2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCC1CN(CC2CC2)Cc2ccnn21
InChIInChI=1S/C16H28N4/c1-3-18(4-2)10-8-16-13-19(11-14-5-6-14)12-15-7-9-17-20(15)16/h7,9,14,16H,3-6,8,10-13H2,1-2H3
InChIKeyIMLUIIWVBYKXKK-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.38
Rot. Bonds7

About 2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine

2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine (PubChem CID 131677517) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine
PubChem CID131677517
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCC1CN(CC2CC2)Cc2ccnn21
InChIInChI=1S/C16H28N4/c1-3-18(4-2)10-8-16-13-19(11-14-5-6-14)12-15-7-9-17-20(15)16/h7,9,14,16H,3-6,8,10-13H2,1-2H3
InChIKeyIMLUIIWVBYKXKK-UHFFFAOYSA-N
XLogP2.38
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine (CID 131677517) is 2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine is CCN(CC)CCC1CN(CC2CC2)Cc2ccnn21.
What is the InChIKey of 2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine?
The InChIKey is IMLUIIWVBYKXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-18(4-2)10-8-16-13-19(11-14-5-6-14)12-15-7-9-17-20(15)16/h7,9,14,16H,3-6,8,10-13H2,1-2H3.
What are the key properties of 2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine?
2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine has a molecular weight of 276.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine is sourced from PubChem (CID 131677517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).