(1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C18H19N5O2 — CID 91779607

IUPAC(1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCn2nc(CO)cc2C1
InChIInChI=1S/C18H19N5O2/c24-13-16-8-17-12-21(6-7-23(17)20-16)18(25)15-9-19-22(11-15)10-14-4-2-1-3-5-14/h1-5,8-9,11,24H,6-7,10,12-13H2
InChIKeyFRDBHWIRSMMMGE-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.28
Rot. Bonds4

About (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 91779607) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID91779607
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCn2nc(CO)cc2C1
InChIInChI=1S/C18H19N5O2/c24-13-16-8-17-12-21(6-7-23(17)20-16)18(25)15-9-19-22(11-15)10-14-4-2-1-3-5-14/h1-5,8-9,11,24H,6-7,10,12-13H2
InChIKeyFRDBHWIRSMMMGE-UHFFFAOYSA-N
XLogP1.28
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 91779607) is (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(c1cnn(Cc2ccccc2)c1)N1CCn2nc(CO)cc2C1.
What is the InChIKey of (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is FRDBHWIRSMMMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-13-16-8-17-12-21(6-7-23(17)20-16)18(25)15-9-19-22(11-15)10-14-4-2-1-3-5-14/h1-5,8-9,11,24H,6-7,10,12-13H2.
What are the key properties of (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 91779607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).