N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C17H29N5O2 — CID 50983985

IUPACN-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)CC(C)(C)C)C2
InChIInChI=1S/C17H29N5O2/c1-17(2,3)11-15(23)21-8-9-22-13(12-21)10-14(19-22)16(24)18-6-7-20(4)5/h10H,6-9,11-12H2,1-5H3,(H,18,24)
InChIKeyHREHHCPVEOWJPT-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.95
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50983985) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50983985
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)CC(C)(C)C)C2
InChIInChI=1S/C17H29N5O2/c1-17(2,3)11-15(23)21-8-9-22-13(12-21)10-14(19-22)16(24)18-6-7-20(4)5/h10H,6-9,11-12H2,1-5H3,(H,18,24)
InChIKeyHREHHCPVEOWJPT-UHFFFAOYSA-N
XLogP0.95
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50983985) is N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)CC(C)(C)C)C2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is HREHHCPVEOWJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-17(2,3)11-15(23)21-8-9-22-13(12-21)10-14(19-22)16(24)18-6-7-20(4)5/h10H,6-9,11-12H2,1-5H3,(H,18,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50983985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).