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

C20H22N6O — CID 90419515

IUPAC6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)c(C3CCC3)c(-c3cnn(C4CCCCC4)c3)nc12
InChIInChI=1S/C20H22N6O/c21-9-14-10-23-26-19(14)24-18(17(20(26)27)13-5-4-6-13)15-11-22-25(12-15)16-7-2-1-3-8-16/h10-13,16,23H,1-8H2
InChIKeyJRCNARVGULULSH-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.53
Rot. Bonds3

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

6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90419515) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90419515
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)c(C3CCC3)c(-c3cnn(C4CCCCC4)c3)nc12
InChIInChI=1S/C20H22N6O/c21-9-14-10-23-26-19(14)24-18(17(20(26)27)13-5-4-6-13)15-11-22-25(12-15)16-7-2-1-3-8-16/h10-13,16,23H,1-8H2
InChIKeyJRCNARVGULULSH-UHFFFAOYSA-N
XLogP3.53
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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Related Compounds

Kdm5-IN-1
CID 118908379
5-(1-methylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454574
5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454577
5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454619
7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454664
5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454688
5-[1-(2-cyanoethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454710
5-[1-(2-methylpropyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454779
5-(1-cyclobutylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 118908372
5-(1-cyclopropylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155533785
7-oxo-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 133054009
5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 133054010

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90419515) is 6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c[nH]n2c(=O)c(C3CCC3)c(-c3cnn(C4CCCCC4)c3)nc12.
What is the InChIKey of 6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is JRCNARVGULULSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c21-9-14-10-23-26-19(14)24-18(17(20(26)27)13-5-4-6-13)15-11-22-25(12-15)16-7-2-1-3-8-16/h10-13,16,23H,1-8H2.
What are the key properties of 6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 362.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-5-(1-cyclohexylpyrazol-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90419515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).