3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea

C16H26N6O — CID 70757182

IUPAC3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cc2n(n1)CCN(CC1[C@H]3CNC[C@@H]13)C2
InChIInChI=1S/C16H26N6O/c1-20(2)16(23)18-6-11-5-12-9-21(3-4-22(12)19-11)10-15-13-7-17-8-14(13)15/h5,13-15,17H,3-4,6-10H2,1-2H3,(H,18,23)/t13-,14+,15?
InChIKeyFMWSXBLPWQRXQN-YIONKMFJSA-N
MW318.43 g/mol
LogP-0.06
Rot. Bonds4

About 3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea

3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea (PubChem CID 70757182) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
PubChem CID70757182
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCc1cc2n(n1)CCN(CC1[C@H]3CNC[C@@H]13)C2
InChIInChI=1S/C16H26N6O/c1-20(2)16(23)18-6-11-5-12-9-21(3-4-22(12)19-11)10-15-13-7-17-8-14(13)15/h5,13-15,17H,3-4,6-10H2,1-2H3,(H,18,23)/t13-,14+,15?
InChIKeyFMWSXBLPWQRXQN-YIONKMFJSA-N
XLogP-0.06
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea (CID 70757182) is 3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-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-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea is CN(C)C(=O)NCc1cc2n(n1)CCN(CC1[C@H]3CNC[C@@H]13)C2.
What is the InChIKey of 3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea?
The InChIKey is FMWSXBLPWQRXQN-YIONKMFJSA-N. The full InChI is InChI=1S/C16H26N6O/c1-20(2)16(23)18-6-11-5-12-9-21(3-4-22(12)19-11)10-15-13-7-17-8-14(13)15/h5,13-15,17H,3-4,6-10H2,1-2H3,(H,18,23)/t13-,14+,15?.
What are the key properties of 3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea?
3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea has a molecular weight of 318.43 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 70757182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).