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

C15H15N5O — CID 157068204

IUPAC4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(C2=CC=NC2)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C15H15N5O/c1-9(2)12-13(10-4-5-17-7-10)19(3)14-11(6-16)8-18-20(14)15(12)21/h4-5,8-9H,7H2,1-3H3
InChIKeyVZFFNLNPGAMYRC-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.50
Rot. Bonds2

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

4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 157068204) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID157068204
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(C2=CC=NC2)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C15H15N5O/c1-9(2)12-13(10-4-5-17-7-10)19(3)14-11(6-16)8-18-20(14)15(12)21/h4-5,8-9H,7H2,1-3H3
InChIKeyVZFFNLNPGAMYRC-UHFFFAOYSA-N
XLogP1.50
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 157068204) is 4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(C2=CC=NC2)n(C)c2c(C#N)cnn2c1=O.
What is the InChIKey of 4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is VZFFNLNPGAMYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9(2)12-13(10-4-5-17-7-10)19(3)14-11(6-16)8-18-20(14)15(12)21/h4-5,8-9H,7H2,1-3H3.
What are the key properties of 4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 157068204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).