6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C17H18N6O — CID 78427385

IUPAC6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)n1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C2CCC2)cn1
InChIInChI=1S/C17H18N6O/c1-10(2)22-9-13(8-19-22)15-14(11-4-3-5-11)17(24)23-16(21-15)12(6-18)7-20-23/h7-11,20H,3-5H2,1-2H3
InChIKeyAGQFZSWHTDNPEJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.61
Rot. Bonds3

About 6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 78427385) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID78427385
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)n1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C2CCC2)cn1
InChIInChI=1S/C17H18N6O/c1-10(2)22-9-13(8-19-22)15-14(11-4-3-5-11)17(24)23-16(21-15)12(6-18)7-20-23/h7-11,20H,3-5H2,1-2H3
InChIKeyAGQFZSWHTDNPEJ-UHFFFAOYSA-N
XLogP2.61
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 78427385) is 6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)n1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C2CCC2)cn1.
What is the InChIKey of 6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is AGQFZSWHTDNPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-10(2)22-9-13(8-19-22)15-14(11-4-3-5-11)17(24)23-16(21-15)12(6-18)7-20-23/h7-11,20H,3-5H2,1-2H3.
What are the key properties of 6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 322.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 78427385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).