3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile

C19H18N8 — CID 155429426

IUPAC3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
SMILESCc1cc(-c2cn3nccc3c(-c3cnn(C4(C)CC(C#N)C4)c3)n2)n[nH]1
InChIInChI=1S/C19H18N8/c1-12-5-15(25-24-12)16-11-26-17(3-4-21-26)18(23-16)14-9-22-27(10-14)19(2)6-13(7-19)8-20/h3-5,9-11,13H,6-7H2,1-2H3,(H,24,25)
InChIKeyIETRANYMJBBSSM-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.94
Rot. Bonds3

About 3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile

3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile (PubChem CID 155429426) has the molecular formula C19H18N8 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
PubChem CID155429426
Molecular FormulaC19H18N8
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
SMILESCc1cc(-c2cn3nccc3c(-c3cnn(C4(C)CC(C#N)C4)c3)n2)n[nH]1
InChIInChI=1S/C19H18N8/c1-12-5-15(25-24-12)16-11-26-17(3-4-21-26)18(23-16)14-9-22-27(10-14)19(2)6-13(7-19)8-20/h3-5,9-11,13H,6-7H2,1-2H3,(H,24,25)
InChIKeyIETRANYMJBBSSM-UHFFFAOYSA-N
XLogP2.94
TPSA100.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile (CID 155429426) is 3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile is Cc1cc(-c2cn3nccc3c(-c3cnn(C4(C)CC(C#N)C4)c3)n2)n[nH]1.
What is the InChIKey of 3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The InChIKey is IETRANYMJBBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8/c1-12-5-15(25-24-12)16-11-26-17(3-4-21-26)18(23-16)14-9-22-27(10-14)19(2)6-13(7-19)8-20/h3-5,9-11,13H,6-7H2,1-2H3,(H,24,25).
What are the key properties of 3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile has a molecular weight of 358.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-[6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 155429426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).