5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C8H7N3O2 — CID 130115386

IUPAC5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCOc1ccn2ncc(C=O)c2n1
InChIInChI=1S/C8H7N3O2/c1-13-7-2-3-11-8(10-7)6(5-12)4-9-11/h2-5H,1H3
InChIKeyHUTUHHSKJKTNKE-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.55
Rot. Bonds2

About 5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde

5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 130115386) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID130115386
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCOc1ccn2ncc(C=O)c2n1
InChIInChI=1S/C8H7N3O2/c1-13-7-2-3-11-8(10-7)6(5-12)4-9-11/h2-5H,1H3
InChIKeyHUTUHHSKJKTNKE-UHFFFAOYSA-N
XLogP0.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 7021267
Pyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 6485991
Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10965659
Ethyl 6-formylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 46779155
Pyrazolo(1,5-a)pyrimidine-6-carbaldehyde
CID 50990809
Ethyl 7-propoxypyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317905
Ethyl 7-(diethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317949
Methyl pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 687900
Ethyl 7-aminopyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 45588467
Ethyl pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57345880
3-(Difluoromethyl)-2-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 137938831
methyl 5-amino-1-(6-methoxy-4-pyrimidinyl)-1H-pyrazole-4-carboxylate
CID 850298

Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 130115386) is 5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde is COc1ccn2ncc(C=O)c2n1.
What is the InChIKey of 5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is HUTUHHSKJKTNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-7-2-3-11-8(10-7)6(5-12)4-9-11/h2-5H,1H3.
What are the key properties of 5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 177.16 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 130115386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).