6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide

C9H11N5 — CID 83877155

IUPAC6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2ncc(C)c(C)n2n1
InChIInChI=1S/C9H11N5/c1-5-4-12-8-3-7(9(10)11)13-14(8)6(5)2/h3-4H,1-2H3,(H3,10,11)
InChIKeyQTNGQDJLVVOSMT-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.63
Rot. Bonds1

About 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide

6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide (PubChem CID 83877155) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide.

Molecular Properties

Compound Name6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide
PubChem CID83877155
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2ncc(C)c(C)n2n1
InChIInChI=1S/C9H11N5/c1-5-4-12-8-3-7(9(10)11)13-14(8)6(5)2/h3-4H,1-2H3,(H3,10,11)
InChIKeyQTNGQDJLVVOSMT-UHFFFAOYSA-N
XLogP0.63
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide?
The IUPAC name of 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide (CID 83877155) is 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide.
What is the SMILES notation for 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide?
The canonical SMILES for 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide is [H]/N=C(\N)c1cc2ncc(C)c(C)n2n1.
What is the InChIKey of 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide?
The InChIKey is QTNGQDJLVVOSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-5-4-12-8-3-7(9(10)11)13-14(8)6(5)2/h3-4H,1-2H3,(H3,10,11).
What are the key properties of 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide?
6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide has a molecular weight of 189.22 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide is sourced from PubChem (CID 83877155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).