3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide

C18H33N5O2 — CID 90649754

IUPAC3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)CC(C)(C)CN1CCn2nc(C(O)CC(=O)N(C)C)cc2C1
InChIInChI=1S/C18H33N5O2/c1-18(2,12-20(3)4)13-22-7-8-23-14(11-22)9-15(19-23)16(24)10-17(25)21(5)6/h9,16,24H,7-8,10-13H2,1-6H3
InChIKeyYMENXDIRVIUZCV-UHFFFAOYSA-N
MW351.50 g/mol
LogP0.80
Rot. Bonds7

About 3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide

3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide (PubChem CID 90649754) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
PubChem CID90649754
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC Name3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)CC(C)(C)CN1CCn2nc(C(O)CC(=O)N(C)C)cc2C1
InChIInChI=1S/C18H33N5O2/c1-18(2,12-20(3)4)13-22-7-8-23-14(11-22)9-15(19-23)16(24)10-17(25)21(5)6/h9,16,24H,7-8,10-13H2,1-6H3
InChIKeyYMENXDIRVIUZCV-UHFFFAOYSA-N
XLogP0.80
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide (CID 90649754) is 3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide is CN(C)CC(C)(C)CN1CCn2nc(C(O)CC(=O)N(C)C)cc2C1.
What is the InChIKey of 3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
The InChIKey is YMENXDIRVIUZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O2/c1-18(2,12-20(3)4)13-22-7-8-23-14(11-22)9-15(19-23)16(24)10-17(25)21(5)6/h9,16,24H,7-8,10-13H2,1-6H3.
What are the key properties of 3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide has a molecular weight of 351.50 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(dimethylamino)-2,2-dimethylpropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide is sourced from PubChem (CID 90649754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).