2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C14H11N3O2 — CID 82271855

IUPAC2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCOc1cccc(-c2nn3cccnc3c2C=O)c1
InChIInChI=1S/C14H11N3O2/c1-19-11-5-2-4-10(8-11)13-12(9-18)14-15-6-3-7-17(14)16-13/h2-9H,1H3
InChIKeyJZXTUPWGOCNFJZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.22
Rot. Bonds3

About 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 82271855) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID82271855
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCOc1cccc(-c2nn3cccnc3c2C=O)c1
InChIInChI=1S/C14H11N3O2/c1-19-11-5-2-4-10(8-11)13-12(9-18)14-15-6-3-7-17(14)16-13/h2-9H,1H3
InChIKeyJZXTUPWGOCNFJZ-UHFFFAOYSA-N
XLogP2.22
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.22
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

3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 11370947
3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531826
2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82271897
2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271864
2-[5-amino-4-formyl-3-(3-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 82360578
2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile
CID 82272140
5-amino-1-(3-hydroxypropyl)-3-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 82360596
3-bromo-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridine
CID 139886725
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde
CID 125456181
2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001889
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 82271855) is 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is COc1cccc(-c2nn3cccnc3c2C=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is JZXTUPWGOCNFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-11-5-2-4-10(8-11)13-12(9-18)14-15-6-3-7-17(14)16-13/h2-9H,1H3.
What are the key properties of 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 253.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 82271855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).