2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C13H7Cl2N3O — CID 82271864

IUPAC2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2Cl)nn2cccnc12
InChIInChI=1S/C13H7Cl2N3O/c14-8-2-3-9(11(15)6-8)12-10(7-19)13-16-4-1-5-18(13)17-12/h1-7H
InChIKeyBIYYAVWOFSEOFM-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.52
Rot. Bonds2

About 2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 82271864) has the molecular formula C13H7Cl2N3O and a molecular weight of 292.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID82271864
Molecular FormulaC13H7Cl2N3O
Molecular Weight292.13 g/mol
Exact Mass291.00
IUPAC Name2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2Cl)nn2cccnc12
InChIInChI=1S/C13H7Cl2N3O/c14-8-2-3-9(11(15)6-8)12-10(7-19)13-16-4-1-5-18(13)17-12/h1-7H
InChIKeyBIYYAVWOFSEOFM-UHFFFAOYSA-N
XLogP3.52
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531822
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271855
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118802444
2-(2,4-dichlorophenyl)-3-[1-(trifluoromethylsulfonyl)imidazol-2-yl]pyridine
CID 173158321
2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid
CID 151715868
2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 82272264
2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 82272165
2-(2,4-dichlorophenyl)-3-iodopyridine
CID 118824901
2-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 82566711
1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 61267084
3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118686641
4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine
CID 91088222

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 82271864) is 2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1c(-c2ccc(Cl)cc2Cl)nn2cccnc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is BIYYAVWOFSEOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O/c14-8-2-3-9(11(15)6-8)12-10(7-19)13-16-4-1-5-18(13)17-12/h1-7H.
What are the key properties of 2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 292.13 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 82271864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).