4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H16N4O — CID 90454825

IUPAC4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=C(C)c1c(C(C)C)c(=O)n2ncc(C#N)c2n1C
InChIInChI=1S/C14H16N4O/c1-8(2)11-12(9(3)4)17(5)13-10(6-15)7-16-18(13)14(11)19/h7-8H,3H2,1-2,4-5H3
InChIKeyDKWXOKYGYOGEEV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.06
Rot. Bonds2

About 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454825) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454825
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=C(C)c1c(C(C)C)c(=O)n2ncc(C#N)c2n1C
InChIInChI=1S/C14H16N4O/c1-8(2)11-12(9(3)4)17(5)13-10(6-15)7-16-18(13)14(11)19/h7-8H,3H2,1-2,4-5H3
InChIKeyDKWXOKYGYOGEEV-UHFFFAOYSA-N
XLogP2.06
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[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 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454825) is 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is C=C(C)c1c(C(C)C)c(=O)n2ncc(C#N)c2n1C.
What is the InChIKey of 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is DKWXOKYGYOGEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8(2)11-12(9(3)4)17(5)13-10(6-15)7-16-18(13)14(11)19/h7-8H,3H2,1-2,4-5H3.
What are the key properties of 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).