(2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C20H23N5O — CID 90648327

IUPAC(2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCn1nccc1C(O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2
InChIInChI=1S/C20H23N5O/c1-23-19(9-10-21-23)20(26)18-14-17-15-24(12-13-25(17)22-18)11-5-8-16-6-3-2-4-7-16/h2-10,14,20,26H,11-13,15H2,1H3/b8-5+
InChIKeySWDAOKATRIJAKD-VMPITWQZSA-N
MW349.44 g/mol
LogP2.23
Rot. Bonds5

About (2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

(2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 90648327) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID90648327
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCn1nccc1C(O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2
InChIInChI=1S/C20H23N5O/c1-23-19(9-10-21-23)20(26)18-14-17-15-24(12-13-25(17)22-18)11-5-8-16-6-3-2-4-7-16/h2-10,14,20,26H,11-13,15H2,1H3/b8-5+
InChIKeySWDAOKATRIJAKD-VMPITWQZSA-N
XLogP2.23
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of (2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 90648327) is (2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for (2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is Cn1nccc1C(O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2.
What is the InChIKey of (2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is SWDAOKATRIJAKD-VMPITWQZSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-19(9-10-21-23)20(26)18-14-17-15-24(12-13-25(17)22-18)11-5-8-16-6-3-2-4-7-16/h2-10,14,20,26H,11-13,15H2,1H3/b8-5+.
What are the key properties of (2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
(2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 349.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 90648327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).