4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C12H14N4O — CID 90454589

IUPAC4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1c(C(C)C)c(=O)n2ncc(C#N)c2n1C
InChIInChI=1S/C12H14N4O/c1-7(2)10-8(3)15(4)11-9(5-13)6-14-16(11)12(10)17/h6-7H,1-4H3
InChIKeyDNDNOGJJDVHVIH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.34
Rot. Bonds1

About 4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454589) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454589
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1c(C(C)C)c(=O)n2ncc(C#N)c2n1C
InChIInChI=1S/C12H14N4O/c1-7(2)10-8(3)15(4)11-9(5-13)6-14-16(11)12(10)17/h6-7H,1-4H3
InChIKeyDNDNOGJJDVHVIH-UHFFFAOYSA-N
XLogP1.34
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78425992
4-(2-(Dimethylamino)ethyl)-6-ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426132
4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135488828
4-Methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one
CID 67949176
6-Ethyl-5-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrrolo[1,2-c]pyrimidine-1-carbonitrile
CID 78426133
4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426565
3-Cyano-6-ethyl-4-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 78426699
4-Methyl-9-oxo-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 78428030
4-(2-Bromoethyl)-6-ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90417723
3-Cyano-6-ethyl-4-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 90419500
Ethyl 3-cyano-6-ethyl-4-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 90419607
3-cyano-6-ethyl-N,4-dimethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 90419819

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454589) is 4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1c(C(C)C)c(=O)n2ncc(C#N)c2n1C.
What is the InChIKey of 4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is DNDNOGJJDVHVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7(2)10-8(3)15(4)11-9(5-13)6-14-16(11)12(10)17/h6-7H,1-4H3.
What are the key properties of 4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).