6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C10H8BrN3O — CID 87771462

IUPAC6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(C2CC2)nn2cc(Br)cnc12
InChIInChI=1S/C10H8BrN3O/c11-7-3-12-10-8(5-15)9(6-1-2-6)13-14(10)4-7/h3-6H,1-2H2
InChIKeyGFWMPKZWYHZSHQ-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.18
Rot. Bonds2

About 6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 87771462) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID87771462
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(C2CC2)nn2cc(Br)cnc12
InChIInChI=1S/C10H8BrN3O/c11-7-3-12-10-8(5-15)9(6-1-2-6)13-14(10)4-7/h3-6H,1-2H2
InChIKeyGFWMPKZWYHZSHQ-UHFFFAOYSA-N
XLogP2.18
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 87771462) is 6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1c(C2CC2)nn2cc(Br)cnc12.
What is the InChIKey of 6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is GFWMPKZWYHZSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-7-3-12-10-8(5-15)9(6-1-2-6)13-14(10)4-7/h3-6H,1-2H2.
What are the key properties of 6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 266.10 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 87771462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).