3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea

C18H32N6O — CID 70783814

IUPAC3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
SMILESCN1CCC(C)(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)CC1
InChIInChI=1S/C18H32N6O/c1-18(5-7-22(4)8-6-18)14-23-9-10-24-16(13-23)11-15(20-24)12-19-17(25)21(2)3/h11H,5-10,12-14H2,1-4H3,(H,19,25)
InChIKeyZLOCSOXYIYDRMV-UHFFFAOYSA-N
MW348.50 g/mol
LogP1.20
Rot. Bonds4

About 3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea

3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea (PubChem CID 70783814) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
PubChem CID70783814
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
SMILESCN1CCC(C)(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)CC1
InChIInChI=1S/C18H32N6O/c1-18(5-7-22(4)8-6-18)14-23-9-10-24-16(13-23)11-15(20-24)12-19-17(25)21(2)3/h11H,5-10,12-14H2,1-4H3,(H,19,25)
InChIKeyZLOCSOXYIYDRMV-UHFFFAOYSA-N
XLogP1.20
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea (CID 70783814) is 3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea is CN1CCC(C)(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)CC1.
What is the InChIKey of 3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea?
The InChIKey is ZLOCSOXYIYDRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O/c1-18(5-7-22(4)8-6-18)14-23-9-10-24-16(13-23)11-15(20-24)12-19-17(25)21(2)3/h11H,5-10,12-14H2,1-4H3,(H,19,25).
What are the key properties of 3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea?
3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea has a molecular weight of 348.50 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 70783814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).