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

C12H15N5O — CID 155522231

IUPAC5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(N(C)C)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C12H15N5O/c1-7(2)9-11(16(3)4)15-10-8(5-13)6-14-17(10)12(9)18/h6-7,14H,1-4H3
InChIKeyOHOZWAYCFLXRSU-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.08
Rot. Bonds2

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

5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 155522231) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID155522231
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(N(C)C)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C12H15N5O/c1-7(2)9-11(16(3)4)15-10-8(5-13)6-14-17(10)12(9)18/h6-7,14H,1-4H3
InChIKeyOHOZWAYCFLXRSU-UHFFFAOYSA-N
XLogP1.08
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 155522231) is 5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(N(C)C)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is OHOZWAYCFLXRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7(2)9-11(16(3)4)15-10-8(5-13)6-14-17(10)12(9)18/h6-7,14H,1-4H3.
What are the key properties of 5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 245.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 155522231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).