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

C9H11N3O — CID 10654886

IUPAC5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C9H11N3O/c1-2-3-7-6-9(13)12-8(11-7)4-5-10-12/h4-6,10H,2-3H2,1H3
InChIKeyVJUZZECMXMUIDF-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.98
Rot. Bonds2

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

5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10654886) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10654886
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C9H11N3O/c1-2-3-7-6-9(13)12-8(11-7)4-5-10-12/h4-6,10H,2-3H2,1H3
InChIKeyVJUZZECMXMUIDF-UHFFFAOYSA-N
XLogP0.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 3241549
2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2818881
2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2819069
2,5-ditert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 113433933
7-oxo-5-propyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 8029655
5-(Aminomethyl)pyrazolo(1,5-a)pyrimidin-7-ol hydrochloride
CID 138987607
2-tert-butyl-5-(fluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22287709
2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 85694364
5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271059
5-methyl-6-(2,2,2-trifluoroethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273626

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10654886) is 5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VJUZZECMXMUIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-3-7-6-9(13)12-8(11-7)4-5-10-12/h4-6,10H,2-3H2,1H3.
What are the key properties of 5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 177.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10654886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).