7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C7H4ClN3O — CID 89290393

IUPAC7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2c(Cl)ccnc12
InChIInChI=1S/C7H4ClN3O/c8-6-1-2-9-7-5(4-12)3-10-11(6)7/h1-4H
InChIKeyLKCHCEHPXPWDMD-UHFFFAOYSA-N
MW181.58 g/mol
LogP1.20
Rot. Bonds1

About 7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde

7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 89290393) has the molecular formula C7H4ClN3O and a molecular weight of 181.58 g/mol. Its IUPAC name is 7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID89290393
Molecular FormulaC7H4ClN3O
Molecular Weight181.58 g/mol
Exact Mass181.00
IUPAC Name7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2c(Cl)ccnc12
InChIInChI=1S/C7H4ClN3O/c8-6-1-2-9-7-5(4-12)3-10-11(6)7/h1-4H
InChIKeyLKCHCEHPXPWDMD-UHFFFAOYSA-N
XLogP1.20
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.58
LogP ≤ 51.20
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

Pyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 6485991
Ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10489397
Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 58063474
6-Formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 50990808
6-Formylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50989583
Pyrazolo(1,5-a)pyrimidine-6-carbaldehyde
CID 50990809
6-Bromopyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 54593562
5-Chloropyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 58196401
5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71627116
Ethyl 2-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742955
3-Bromopyrazolo[1,5-A]pyrimidine-6-carbaldehyde
CID 72207617
Pyrazolo(1,5-a)pyrimidine-3-carboxaldehyde, 6-methyl-
CID 83815717

Frequently Asked Questions

What is the IUPAC name of 7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 89290393) is 7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1cnn2c(Cl)ccnc12.
What is the InChIKey of 7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is LKCHCEHPXPWDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O/c8-6-1-2-9-7-5(4-12)3-10-11(6)7/h1-4H.
What are the key properties of 7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 181.58 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 89290393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).