2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C17H30N6O2 — CID 70726192

IUPAC2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCN(CC)CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C17H30N6O2/c1-5-21(6-2)8-7-16(24)18-12-14-11-15-13-22(17(25)20(3)4)9-10-23(15)19-14/h11H,5-10,12-13H2,1-4H3,(H,18,24)
InChIKeyPMRYFMMEKXCVGF-UHFFFAOYSA-N
MW350.47 g/mol
LogP0.73
Rot. Bonds7

About 2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 70726192) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID70726192
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCN(CC)CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C17H30N6O2/c1-5-21(6-2)8-7-16(24)18-12-14-11-15-13-22(17(25)20(3)4)9-10-23(15)19-14/h11H,5-10,12-13H2,1-4H3,(H,18,24)
InChIKeyPMRYFMMEKXCVGF-UHFFFAOYSA-N
XLogP0.73
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 70726192) is 2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CCN(CC)CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of 2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is PMRYFMMEKXCVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-5-21(6-2)8-7-16(24)18-12-14-11-15-13-22(17(25)20(3)4)9-10-23(15)19-14/h11H,5-10,12-13H2,1-4H3,(H,18,24).
What are the key properties of 2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)propanoylamino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 70726192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).