3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C8H9N3O — CID 10820895

IUPAC3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(C)c2n1
InChIInChI=1S/C8H9N3O/c1-5-4-9-11-7(12)3-6(2)10-8(5)11/h3-4,9H,1-2H3
InChIKeyAKZWZNZTASGOOK-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.64
Rot. Bonds

About 3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10820895) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10820895
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(C)c2n1
InChIInChI=1S/C8H9N3O/c1-5-4-9-11-7(12)3-6(2)10-8(5)11/h3-4,9H,1-2H3
InChIKeyAKZWZNZTASGOOK-UHFFFAOYSA-N
XLogP0.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 736199
7-Hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 2819027
5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10534815
5-(aminomethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 84048439
2,5-Dimethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 5007307
7-oxo-5-propyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 8029655
3-Bromo-5-methylpyrazolo[1,5-A]pyrimidin-7-OL
CID 49761448
5-(Chloromethyl)-2,3-dimethylpyrazolo(1,5-a)pyrimidin-7-ol
CID 137935534
5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171798505
2-Ethyl-3,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine
CID 12079438
7-Hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485760
5-Amino-3-methylpyrazolo[2,3-a]pyrimidin-7(1h)-one
CID 129800163

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10820895) is 3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]cc(C)c2n1.
What is the InChIKey of 3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AKZWZNZTASGOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-4-9-11-7(12)3-6(2)10-8(5)11/h3-4,9H,1-2H3.
What are the key properties of 3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 163.18 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10820895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).