N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide

C9H11N5O — CID 2819058

IUPACN'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESCc1cc(C)n2ncc(C(N)=NO)c2n1
InChIInChI=1S/C9H11N5O/c1-5-3-6(2)14-9(12-5)7(4-11-14)8(10)13-15/h3-4,15H,1-2H3,(H2,10,13)
InChIKeySXKLPVNUIXJJLW-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.44
Rot. Bonds1

About N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide

N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide (PubChem CID 2819058) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
PubChem CID2819058
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESCc1cc(C)n2ncc(C(N)=NO)c2n1
InChIInChI=1S/C9H11N5O/c1-5-3-6(2)14-9(12-5)7(4-11-14)8(10)13-15/h3-4,15H,1-2H3,(H2,10,13)
InChIKeySXKLPVNUIXJJLW-UHFFFAOYSA-N
XLogP0.44
TPSA88.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide (CID 2819058) is N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide is Cc1cc(C)n2ncc(C(N)=NO)c2n1.
What is the InChIKey of N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The InChIKey is SXKLPVNUIXJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5-3-6(2)14-9(12-5)7(4-11-14)8(10)13-15/h3-4,15H,1-2H3,(H2,10,13).
What are the key properties of N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide has a molecular weight of 205.22 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide is sourced from PubChem (CID 2819058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).