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

C18H20N6O — CID 78427386

IUPAC6-(1-methylcyclobutyl)-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)c2C2(C)CCC2)cn1
InChIInChI=1S/C18H20N6O/c1-11(2)23-10-13(9-20-23)15-14(18(3)5-4-6-18)17(25)24-16(22-15)12(7-19)8-21-24/h8-11,21H,4-6H2,1-3H3
InChIKeyOIWXBWRCBPSSBW-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.78
Rot. Bonds3

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

6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 78427386) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID78427386
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-(1-methylcyclobutyl)-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)c2C2(C)CCC2)cn1
InChIInChI=1S/C18H20N6O/c1-11(2)23-10-13(9-20-23)15-14(18(3)5-4-6-18)17(25)24-16(22-15)12(7-19)8-21-24/h8-11,21H,4-6H2,1-3H3
InChIKeyOIWXBWRCBPSSBW-UHFFFAOYSA-N
XLogP2.78
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 78427386) is 6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-(1-methylcyclobutyl)-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)c2C2(C)CCC2)cn1.
What is the InChIKey of 6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is OIWXBWRCBPSSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11(2)23-10-13(9-20-23)15-14(18(3)5-4-6-18)17(25)24-16(22-15)12(7-19)8-21-24/h8-11,21H,4-6H2,1-3H3.
What are the key properties of 6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylcyclobutyl)-7-oxo-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 78427386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).