2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile

C19H18N8O — CID 130339309

IUPAC2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(O)C4)c3)n2)cn1
InChIInChI=1S/C19H18N8O/c1-25-10-13(8-22-25)16-12-26-17(2-5-21-26)18(24-16)14-9-23-27(11-14)19(3-4-20)6-15(28)7-19/h2,5,8-12,15,28H,3,6-7H2,1H3
InChIKeyGJSKDXVPTURYQL-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.76
Rot. Bonds4

About 2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile

2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile (PubChem CID 130339309) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
PubChem CID130339309
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(O)C4)c3)n2)cn1
InChIInChI=1S/C19H18N8O/c1-25-10-13(8-22-25)16-12-26-17(2-5-21-26)18(24-16)14-9-23-27(11-14)19(3-4-20)6-15(28)7-19/h2,5,8-12,15,28H,3,6-7H2,1H3
InChIKeyGJSKDXVPTURYQL-UHFFFAOYSA-N
XLogP1.76
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The IUPAC name of 2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile (CID 130339309) is 2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile.
What is the SMILES notation for 2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The canonical SMILES for 2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile is Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(O)C4)c3)n2)cn1.
What is the InChIKey of 2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The InChIKey is GJSKDXVPTURYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-25-10-13(8-22-25)16-12-26-17(2-5-21-26)18(24-16)14-9-23-27(11-14)19(3-4-20)6-15(28)7-19/h2,5,8-12,15,28H,3,6-7H2,1H3.
What are the key properties of 2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile has a molecular weight of 374.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile is sourced from PubChem (CID 130339309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).