6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C17H14N4O — CID 78426702

IUPAC6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)c(C3CCC3)c(-c3ccccc3)nc12
InChIInChI=1S/C17H14N4O/c18-9-13-10-19-21-16(13)20-15(12-5-2-1-3-6-12)14(17(21)22)11-7-4-8-11/h1-3,5-6,10-11,19H,4,7-8H2
InChIKeyLZCZQOLRYKGZNF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.83
Rot. Bonds2

About 6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 78426702) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID78426702
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)c(C3CCC3)c(-c3ccccc3)nc12
InChIInChI=1S/C17H14N4O/c18-9-13-10-19-21-16(13)20-15(12-5-2-1-3-6-12)14(17(21)22)11-7-4-8-11/h1-3,5-6,10-11,19H,4,7-8H2
InChIKeyLZCZQOLRYKGZNF-UHFFFAOYSA-N
XLogP2.83
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426698
6-Ethyl-7-oxo-5-o-tolyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90442348
5-Chloro-7-Hydroxy-6-(Phenylmethyl)pyrazolo[1,5-A]pyrimidine-3-Carbonitrile
CID 53338872
2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 666499
6-Benzyl-2,5-dimethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 754782
2-phenyl-6,7-dihydro-4H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8(5H)-one
CID 804700
6-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879019
6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426282
7-oxo-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78427123
6-Bromo-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90419617
6-Isopropyl-7-oxo-5-phenethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90419692
7-Oxo-5-phenyl-6-(prop-2-yn-1-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90420023

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 78426702) is 6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c[nH]n2c(=O)c(C3CCC3)c(-c3ccccc3)nc12.
What is the InChIKey of 6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LZCZQOLRYKGZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-9-13-10-19-21-16(13)20-15(12-5-2-1-3-6-12)14(17(21)22)11-7-4-8-11/h1-3,5-6,10-11,19H,4,7-8H2.
What are the key properties of 6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 78426702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).