7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde

C10H12N4O — CID 58034646

IUPAC7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESCC(C)c1cc2ncc(C=O)c(N)n2n1
InChIInChI=1S/C10H12N4O/c1-6(2)8-3-9-12-4-7(5-15)10(11)14(9)13-8/h3-6H,11H2,1-2H3
InChIKeyNSINXYAPIVYNCP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.25
Rot. Bonds2

About 7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde

7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 58034646) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
PubChem CID58034646
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESCC(C)c1cc2ncc(C=O)c(N)n2n1
InChIInChI=1S/C10H12N4O/c1-6(2)8-3-9-12-4-7(5-15)10(11)14(9)13-8/h3-6H,11H2,1-2H3
InChIKeyNSINXYAPIVYNCP-UHFFFAOYSA-N
XLogP1.25
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 58034646) is 7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde is CC(C)c1cc2ncc(C=O)c(N)n2n1.
What is the InChIKey of 7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The InChIKey is NSINXYAPIVYNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6(2)8-3-9-12-4-7(5-15)10(11)14(9)13-8/h3-6H,11H2,1-2H3.
What are the key properties of 7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 58034646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).