5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C11H15N3O — CID 104621334

IUPAC5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C11H15N3O/c1-4-5-9-6-10-12-8(3)7(2)11(15)14(10)13-9/h6,13H,4-5H2,1-3H3
InChIKeyQZJAREXOCCGTMC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.59
Rot. Bonds2

About 5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 104621334) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID104621334
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C11H15N3O/c1-4-5-9-6-10-12-8(3)7(2)11(15)14(10)13-9/h6,13H,4-5H2,1-3H3
InChIKeyQZJAREXOCCGTMC-UHFFFAOYSA-N
XLogP1.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 113433911
6,7-dimethyl-2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 165478940
ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514372
tert-butyl N-butyl-N-[(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
CID 130205337
5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 113433914
5-propyl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 106471783
6-(2-aminoethyl)-2-(methoxymethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271814
2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 784601
5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 66624816
5,6-dimethyl-2-[(3R)-piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98078017
2-tert-butyl-6-(2-chloroethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271773
11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 104621255

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 104621334) is 5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc2nc(C)c(C)c(=O)n2[nH]1.
What is the InChIKey of 5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QZJAREXOCCGTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-5-9-6-10-12-8(3)7(2)11(15)14(10)13-9/h6,13H,4-5H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 205.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 104621334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).