4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide

C17H30N6O — CID 70739880

IUPAC4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide
SMILESCC(C)CN1CCn2nc(CNC(=O)N3CCN(C)CC3)cc2C1
InChIInChI=1S/C17H30N6O/c1-14(2)12-21-6-9-23-16(13-21)10-15(19-23)11-18-17(24)22-7-4-20(3)5-8-22/h10,14H,4-9,11-13H2,1-3H3,(H,18,24)
InChIKeyOQJOBRMVMCTOCJ-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.81
Rot. Bonds4

About 4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide

4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 70739880) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide
PubChem CID70739880
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide
SMILESCC(C)CN1CCn2nc(CNC(=O)N3CCN(C)CC3)cc2C1
InChIInChI=1S/C17H30N6O/c1-14(2)12-21-6-9-23-16(13-21)10-15(19-23)11-18-17(24)22-7-4-20(3)5-8-22/h10,14H,4-9,11-13H2,1-3H3,(H,18,24)
InChIKeyOQJOBRMVMCTOCJ-UHFFFAOYSA-N
XLogP0.81
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide (CID 70739880) is 4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide is CC(C)CN1CCn2nc(CNC(=O)N3CCN(C)CC3)cc2C1.
What is the InChIKey of 4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is OQJOBRMVMCTOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-14(2)12-21-6-9-23-16(13-21)10-15(19-23)11-18-17(24)22-7-4-20(3)5-8-22/h10,14H,4-9,11-13H2,1-3H3,(H,18,24).
What are the key properties of 4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide?
4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 70739880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).