1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol

C19H23N5O2 — CID 91772287

IUPAC1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESOCC(O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2
InChIInChI=1S/C19H23N5O2/c25-14-19(26)18-10-17-13-22(8-9-24(17)21-18)11-15-4-1-2-5-16(15)12-23-7-3-6-20-23/h1-7,10,19,25-26H,8-9,11-14H2
InChIKeyIPVRBYJTIMQGMG-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.17
Rot. Bonds6

About 1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol

1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (PubChem CID 91772287) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
PubChem CID91772287
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESOCC(O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2
InChIInChI=1S/C19H23N5O2/c25-14-19(26)18-10-17-13-22(8-9-24(17)21-18)11-15-4-1-2-5-16(15)12-23-7-3-6-20-23/h1-7,10,19,25-26H,8-9,11-14H2
InChIKeyIPVRBYJTIMQGMG-UHFFFAOYSA-N
XLogP1.17
TPSA79.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (CID 91772287) is 1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is OCC(O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2.
What is the InChIKey of 1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The InChIKey is IPVRBYJTIMQGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-14-19(26)18-10-17-13-22(8-9-24(17)21-18)11-15-4-1-2-5-16(15)12-23-7-3-6-20-23/h1-7,10,19,25-26H,8-9,11-14H2.
What are the key properties of 1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol has a molecular weight of 353.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 91772287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).