3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

C20H26N4O2 — CID 90651338

IUPAC3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESCN(C)C(=O)CC(O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2
InChIInChI=1S/C20H26N4O2/c1-22(2)20(26)14-19(25)18-13-17-15-23(11-12-24(17)21-18)10-6-9-16-7-4-3-5-8-16/h3-9,13,19,25H,10-12,14-15H2,1-2H3/b9-6+
InChIKeyXSSSXCBGETZHAK-RMKNXTFCSA-N
MW354.45 g/mol
LogP1.92
Rot. Bonds6

About 3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (PubChem CID 90651338) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
PubChem CID90651338
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
SMILESCN(C)C(=O)CC(O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2
InChIInChI=1S/C20H26N4O2/c1-22(2)20(26)14-19(25)18-13-17-15-23(11-12-24(17)21-18)10-6-9-16-7-4-3-5-8-16/h3-9,13,19,25H,10-12,14-15H2,1-2H3/b9-6+
InChIKeyXSSSXCBGETZHAK-RMKNXTFCSA-N
XLogP1.92
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide (CID 90651338) is 3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is CN(C)C(=O)CC(O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
The InChIKey is XSSSXCBGETZHAK-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22(2)20(26)14-19(25)18-13-17-15-23(11-12-24(17)21-18)10-6-9-16-7-4-3-5-8-16/h3-9,13,19,25H,10-12,14-15H2,1-2H3/b9-6+.
What are the key properties of 3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide?
3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide is sourced from PubChem (CID 90651338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).