2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H15N5O — CID 10611161

IUPAC2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)c1cc2ncc(-c3ccn[nH]3)c(=O)n2[nH]1
InChIInChI=1S/C13H15N5O/c1-13(2,3)10-6-11-14-7-8(9-4-5-15-16-9)12(19)18(11)17-10/h4-7,17H,1-3H3,(H,15,16)
InChIKeyHLOPHVMPTGHOKI-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.71
Rot. Bonds1

About 2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10611161) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10611161
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)c1cc2ncc(-c3ccn[nH]3)c(=O)n2[nH]1
InChIInChI=1S/C13H15N5O/c1-13(2,3)10-6-11-14-7-8(9-4-5-15-16-9)12(19)18(11)17-10/h4-7,17H,1-3H3,(H,15,16)
InChIKeyHLOPHVMPTGHOKI-UHFFFAOYSA-N
XLogP1.71
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 10846845
copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide
CID 139058362
2-tert-butyl-6-(2-chloroethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271773
3-(1H-pyrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 1482398
5-methyl-4-(1H-pyrazol-5-yl)-1H-pyrazole
CID 130918479
4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine
CID 15520583
5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271088
5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271057
6-amino-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271709
5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine
CID 175726727
2-tert-butyl-6-[[cyclobutyl(methyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 167023833
2-(2-tert-butyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271556

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10611161) is 2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)(C)c1cc2ncc(-c3ccn[nH]3)c(=O)n2[nH]1.
What is the InChIKey of 2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HLOPHVMPTGHOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-13(2,3)10-6-11-14-7-8(9-4-5-15-16-9)12(19)18(11)17-10/h4-7,17H,1-3H3,(H,15,16).
What are the key properties of 2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 257.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10611161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).