1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea

C18H32N6O2 — CID 70745609

IUPAC1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea
SMILESCN(C)C(=O)NCc1cc2n(n1)CCN(CC(C)(C)N1CCOCC1)C2
InChIInChI=1S/C18H32N6O2/c1-18(2,23-7-9-26-10-8-23)14-22-5-6-24-16(13-22)11-15(20-24)12-19-17(25)21(3)4/h11H,5-10,12-14H2,1-4H3,(H,19,25)
InChIKeyVOXRPAVPWGMQGK-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.58
Rot. Bonds5

About 1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea

1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea (PubChem CID 70745609) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea
PubChem CID70745609
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea
SMILESCN(C)C(=O)NCc1cc2n(n1)CCN(CC(C)(C)N1CCOCC1)C2
InChIInChI=1S/C18H32N6O2/c1-18(2,23-7-9-26-10-8-23)14-22-5-6-24-16(13-22)11-15(20-24)12-19-17(25)21(3)4/h11H,5-10,12-14H2,1-4H3,(H,19,25)
InChIKeyVOXRPAVPWGMQGK-UHFFFAOYSA-N
XLogP0.58
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea (CID 70745609) is 1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea is CN(C)C(=O)NCc1cc2n(n1)CCN(CC(C)(C)N1CCOCC1)C2.
What is the InChIKey of 1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea?
The InChIKey is VOXRPAVPWGMQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-18(2,23-7-9-26-10-8-23)14-22-5-6-24-16(13-22)11-15(20-24)12-19-17(25)21(3)4/h11H,5-10,12-14H2,1-4H3,(H,19,25).
What are the key properties of 1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea?
1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea has a molecular weight of 364.49 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[[5-(2-methyl-2-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea is sourced from PubChem (CID 70745609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).