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

C19H18N8 — CID 130339322

IUPAC2-[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)CCC4)c3)n2)cn1
InChIInChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3
InChIKeyHKFADJUNHDIGFR-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.79
Rot. Bonds4

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

2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile (PubChem CID 130339322) has the molecular formula C19H18N8 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile
PubChem CID130339322
Molecular FormulaC19H18N8
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-[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)CCC4)c3)n2)cn1
InChIInChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3
InChIKeyHKFADJUNHDIGFR-UHFFFAOYSA-N
XLogP2.79
TPSA89.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The IUPAC name of 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile (CID 130339322) is 2-[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-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The canonical SMILES for 2-[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)CCC4)c3)n2)cn1.
What is the InChIKey of 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
The InChIKey is HKFADJUNHDIGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3.
What are the key properties of 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile?
2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile has a molecular weight of 358.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutyl]acetonitrile is sourced from PubChem (CID 130339322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).